USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 727 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -74:sc= -0.921! USER MOD Single : A 41 ASN : amide:sc= -0.125 X(o=-0.13,f=-0.25) USER MOD Single : A 45 GLN : amide:sc= -6.43! C(o=-6.4!,f=-4.7!) USER MOD Single : A 49 ASN : amide:sc= -0.27 K(o=-0.27,f=-1.9) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -155:sc= -0.0268 (180deg=-0.516) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -1.09 K(o=-1.1,f=-5.1!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0243 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.149 X(o=-0.15,f=-0.46) USER MOD Single : A 65 SER OG : rot -70:sc= 0.56 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 88:sc= 0.979 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.015 USER MOD Single : A 88 THR OG1 : rot -150:sc= -0.101 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.22) USER MOD Single : A 98 THR OG1 : rot 45:sc= 0.41 USER MOD Single : A 103 SER OG : rot -141:sc= 0.793 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 SER OG : rot -109:sc= 0.0389 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 384 N LYS A 25 105.740 6.541 -0.870 1.00 0.00 N ATOM 385 CA LYS A 25 105.694 7.796 -0.129 1.00 0.00 C ATOM 386 C LYS A 25 104.626 7.747 0.960 1.00 0.00 C ATOM 387 O LYS A 25 104.041 8.770 1.318 1.00 0.00 O ATOM 388 CB LYS A 25 105.421 8.965 -1.080 1.00 0.00 C ATOM 389 CG LYS A 25 106.506 10.029 -1.061 1.00 0.00 C ATOM 390 CD LYS A 25 106.843 10.510 -2.464 1.00 0.00 C ATOM 391 CE LYS A 25 105.940 11.655 -2.893 1.00 0.00 C ATOM 392 NZ LYS A 25 104.690 11.166 -3.538 1.00 0.00 N ATOM 0 HA LYS A 25 106.663 7.944 0.347 1.00 0.00 H new ATOM 0 HB2 LYS A 25 105.318 8.581 -2.095 1.00 0.00 H new ATOM 0 HB3 LYS A 25 104.469 9.424 -0.815 1.00 0.00 H new ATOM 0 HG2 LYS A 25 106.178 10.874 -0.455 1.00 0.00 H new ATOM 0 HG3 LYS A 25 107.402 9.627 -0.588 1.00 0.00 H new ATOM 0 HD2 LYS A 25 107.883 10.833 -2.499 1.00 0.00 H new ATOM 0 HD3 LYS A 25 106.743 9.683 -3.167 1.00 0.00 H new ATOM 0 HE2 LYS A 25 105.686 12.262 -2.024 1.00 0.00 H new ATOM 0 HE3 LYS A 25 106.478 12.301 -3.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 104.102 11.978 -3.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 104.930 10.608 -4.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 104.163 10.570 -2.867 1.00 0.00 H new ATOM 406 N GLU A 26 104.378 6.550 1.486 1.00 0.00 N ATOM 407 CA GLU A 26 103.381 6.369 2.536 1.00 0.00 C ATOM 408 C GLU A 26 103.918 5.469 3.645 1.00 0.00 C ATOM 409 O GLU A 26 104.485 4.409 3.379 1.00 0.00 O ATOM 410 CB GLU A 26 102.096 5.775 1.950 1.00 0.00 C ATOM 411 CG GLU A 26 100.876 6.660 2.142 1.00 0.00 C ATOM 412 CD GLU A 26 100.298 6.563 3.541 1.00 0.00 C ATOM 413 OE1 GLU A 26 101.017 6.900 4.505 1.00 0.00 O ATOM 414 OE2 GLU A 26 99.127 6.149 3.672 1.00 0.00 O ATOM 0 H GLU A 26 104.853 5.693 1.203 1.00 0.00 H new ATOM 0 HA GLU A 26 103.156 7.345 2.965 1.00 0.00 H new ATOM 0 HB2 GLU A 26 102.241 5.596 0.885 1.00 0.00 H new ATOM 0 HB3 GLU A 26 101.909 4.806 2.413 1.00 0.00 H new ATOM 0 HG2 GLU A 26 101.147 7.695 1.936 1.00 0.00 H new ATOM 0 HG3 GLU A 26 100.112 6.380 1.417 1.00 0.00 H new ATOM 421 N GLY A 27 103.735 5.899 4.889 1.00 0.00 N ATOM 422 CA GLY A 27 104.208 5.122 6.020 1.00 0.00 C ATOM 423 C GLY A 27 103.486 3.796 6.163 1.00 0.00 C ATOM 424 O GLY A 27 103.104 3.180 5.168 1.00 0.00 O ATOM 0 H GLY A 27 103.268 6.772 5.134 1.00 0.00 H new ATOM 0 HA2 GLY A 27 105.277 4.939 5.908 1.00 0.00 H new ATOM 0 HA3 GLY A 27 104.078 5.702 6.934 1.00 0.00 H new ATOM 428 N VAL A 28 103.297 3.360 7.404 1.00 0.00 N ATOM 429 CA VAL A 28 102.619 2.098 7.677 1.00 0.00 C ATOM 430 C VAL A 28 101.276 2.329 8.362 1.00 0.00 C ATOM 431 O VAL A 28 101.214 2.560 9.569 1.00 0.00 O ATOM 432 CB VAL A 28 103.479 1.178 8.565 1.00 0.00 C ATOM 433 CG1 VAL A 28 102.836 -0.196 8.695 1.00 0.00 C ATOM 434 CG2 VAL A 28 104.891 1.061 8.010 1.00 0.00 C ATOM 0 H VAL A 28 103.604 3.862 8.237 1.00 0.00 H new ATOM 0 HA VAL A 28 102.455 1.615 6.713 1.00 0.00 H new ATOM 0 HB VAL A 28 103.540 1.622 9.559 1.00 0.00 H new ATOM 0 HG11 VAL A 28 103.458 -0.831 9.326 1.00 0.00 H new ATOM 0 HG12 VAL A 28 101.848 -0.094 9.145 1.00 0.00 H new ATOM 0 HG13 VAL A 28 102.740 -0.648 7.708 1.00 0.00 H new ATOM 0 HG21 VAL A 28 105.481 0.407 8.652 1.00 0.00 H new ATOM 0 HG22 VAL A 28 104.853 0.644 7.004 1.00 0.00 H new ATOM 0 HG23 VAL A 28 105.352 2.048 7.976 1.00 0.00 H new ATOM 444 N VAL A 29 100.201 2.267 7.582 1.00 0.00 N ATOM 445 CA VAL A 29 98.858 2.466 8.114 1.00 0.00 C ATOM 446 C VAL A 29 98.029 1.192 7.987 1.00 0.00 C ATOM 447 O VAL A 29 97.858 0.659 6.891 1.00 0.00 O ATOM 448 CB VAL A 29 98.129 3.614 7.391 1.00 0.00 C ATOM 449 CG1 VAL A 29 96.829 3.955 8.103 1.00 0.00 C ATOM 450 CG2 VAL A 29 99.027 4.838 7.292 1.00 0.00 C ATOM 0 H VAL A 29 100.234 2.081 6.580 1.00 0.00 H new ATOM 0 HA VAL A 29 98.968 2.726 9.167 1.00 0.00 H new ATOM 0 HB VAL A 29 97.887 3.286 6.380 1.00 0.00 H new ATOM 0 HG11 VAL A 29 96.329 4.768 7.577 1.00 0.00 H new ATOM 0 HG12 VAL A 29 96.181 3.079 8.117 1.00 0.00 H new ATOM 0 HG13 VAL A 29 97.044 4.263 9.126 1.00 0.00 H new ATOM 0 HG21 VAL A 29 98.495 5.639 6.778 1.00 0.00 H new ATOM 0 HG22 VAL A 29 99.302 5.169 8.293 1.00 0.00 H new ATOM 0 HG23 VAL A 29 99.928 4.584 6.733 1.00 0.00 H new ATOM 460 N ALA A 30 97.516 0.709 9.113 1.00 0.00 N ATOM 461 CA ALA A 30 96.708 -0.505 9.124 1.00 0.00 C ATOM 462 C ALA A 30 95.499 -0.357 10.042 1.00 0.00 C ATOM 463 O ALA A 30 95.544 0.370 11.034 1.00 0.00 O ATOM 464 CB ALA A 30 97.553 -1.695 9.550 1.00 0.00 C ATOM 0 H ALA A 30 97.645 1.139 10.029 1.00 0.00 H new ATOM 0 HA ALA A 30 96.341 -0.675 8.112 1.00 0.00 H new ATOM 0 HB1 ALA A 30 96.938 -2.595 9.554 1.00 0.00 H new ATOM 0 HB2 ALA A 30 98.379 -1.823 8.851 1.00 0.00 H new ATOM 0 HB3 ALA A 30 97.948 -1.521 10.551 1.00 0.00 H new ATOM 470 N VAL A 31 94.419 -1.055 9.703 1.00 0.00 N ATOM 471 CA VAL A 31 93.196 -1.007 10.495 1.00 0.00 C ATOM 472 C VAL A 31 92.630 -2.407 10.712 1.00 0.00 C ATOM 473 O VAL A 31 92.805 -3.294 9.876 1.00 0.00 O ATOM 474 CB VAL A 31 92.123 -0.129 9.824 1.00 0.00 C ATOM 475 CG1 VAL A 31 92.573 1.323 9.778 1.00 0.00 C ATOM 476 CG2 VAL A 31 91.811 -0.642 8.426 1.00 0.00 C ATOM 0 H VAL A 31 94.367 -1.661 8.884 1.00 0.00 H new ATOM 0 HA VAL A 31 93.459 -0.569 11.458 1.00 0.00 H new ATOM 0 HB VAL A 31 91.211 -0.184 10.419 1.00 0.00 H new ATOM 0 HG11 VAL A 31 91.802 1.928 9.301 1.00 0.00 H new ATOM 0 HG12 VAL A 31 92.741 1.684 10.793 1.00 0.00 H new ATOM 0 HG13 VAL A 31 93.499 1.399 9.208 1.00 0.00 H new ATOM 0 HG21 VAL A 31 91.051 -0.009 7.968 1.00 0.00 H new ATOM 0 HG22 VAL A 31 92.716 -0.619 7.820 1.00 0.00 H new ATOM 0 HG23 VAL A 31 91.442 -1.666 8.488 1.00 0.00 H new ATOM 486 N ASP A 32 91.950 -2.599 11.839 1.00 0.00 N ATOM 487 CA ASP A 32 91.357 -3.893 12.168 1.00 0.00 C ATOM 488 C ASP A 32 90.534 -4.433 11.003 1.00 0.00 C ATOM 489 O ASP A 32 90.963 -5.347 10.299 1.00 0.00 O ATOM 490 CB ASP A 32 90.481 -3.774 13.415 1.00 0.00 C ATOM 491 CG ASP A 32 91.286 -3.863 14.697 1.00 0.00 C ATOM 492 OD1 ASP A 32 92.395 -4.435 14.664 1.00 0.00 O ATOM 493 OD2 ASP A 32 90.806 -3.361 15.736 1.00 0.00 O ATOM 0 H ASP A 32 91.796 -1.875 12.541 1.00 0.00 H new ATOM 0 HA ASP A 32 92.169 -4.593 12.367 1.00 0.00 H new ATOM 0 HB2 ASP A 32 89.946 -2.825 13.390 1.00 0.00 H new ATOM 0 HB3 ASP A 32 89.730 -4.564 13.405 1.00 0.00 H new ATOM 498 N ASP A 33 89.351 -3.864 10.805 1.00 0.00 N ATOM 499 CA ASP A 33 88.473 -4.293 9.724 1.00 0.00 C ATOM 500 C ASP A 33 88.097 -3.115 8.831 1.00 0.00 C ATOM 501 O ASP A 33 88.500 -3.049 7.670 1.00 0.00 O ATOM 502 CB ASP A 33 87.211 -4.946 10.291 1.00 0.00 C ATOM 503 CG ASP A 33 87.302 -6.459 10.310 1.00 0.00 C ATOM 504 OD1 ASP A 33 87.142 -7.078 9.236 1.00 0.00 O ATOM 505 OD2 ASP A 33 87.534 -7.026 11.398 1.00 0.00 O ATOM 0 H ASP A 33 88.979 -3.106 11.377 1.00 0.00 H new ATOM 0 HA ASP A 33 89.010 -5.025 9.121 1.00 0.00 H new ATOM 0 HB2 ASP A 33 87.041 -4.582 11.304 1.00 0.00 H new ATOM 0 HB3 ASP A 33 86.350 -4.644 9.695 1.00 0.00 H new ATOM 510 N ARG A 34 87.323 -2.185 9.382 1.00 0.00 N ATOM 511 CA ARG A 34 86.894 -1.008 8.637 1.00 0.00 C ATOM 512 C ARG A 34 87.728 0.210 9.021 1.00 0.00 C ATOM 513 O ARG A 34 87.964 1.098 8.203 1.00 0.00 O ATOM 514 CB ARG A 34 85.412 -0.726 8.893 1.00 0.00 C ATOM 515 CG ARG A 34 84.500 -1.890 8.534 1.00 0.00 C ATOM 516 CD ARG A 34 83.051 -1.446 8.407 1.00 0.00 C ATOM 517 NE ARG A 34 82.153 -2.279 9.204 1.00 0.00 N ATOM 518 CZ ARG A 34 80.845 -2.386 8.979 1.00 0.00 C ATOM 519 NH1 ARG A 34 80.276 -1.714 7.985 1.00 0.00 N ATOM 520 NH2 ARG A 34 80.102 -3.167 9.752 1.00 0.00 N ATOM 0 H ARG A 34 86.980 -2.224 10.342 1.00 0.00 H new ATOM 0 HA ARG A 34 87.039 -1.208 7.575 1.00 0.00 H new ATOM 0 HB2 ARG A 34 85.274 -0.479 9.946 1.00 0.00 H new ATOM 0 HB3 ARG A 34 85.113 0.150 8.318 1.00 0.00 H new ATOM 0 HG2 ARG A 34 84.829 -2.335 7.595 1.00 0.00 H new ATOM 0 HG3 ARG A 34 84.579 -2.664 9.298 1.00 0.00 H new ATOM 0 HD2 ARG A 34 82.961 -0.407 8.725 1.00 0.00 H new ATOM 0 HD3 ARG A 34 82.750 -1.486 7.360 1.00 0.00 H new ATOM 0 HE ARG A 34 82.552 -2.810 9.978 1.00 0.00 H new ATOM 0 HH11 ARG A 34 80.842 -1.111 7.388 1.00 0.00 H new ATOM 0 HH12 ARG A 34 79.273 -1.801 7.819 1.00 0.00 H new ATOM 0 HH21 ARG A 34 80.533 -3.685 10.518 1.00 0.00 H new ATOM 0 HH22 ARG A 34 79.100 -3.250 9.580 1.00 0.00 H new ATOM 534 N GLY A 35 88.172 0.243 10.274 1.00 0.00 N ATOM 535 CA GLY A 35 88.976 1.354 10.748 1.00 0.00 C ATOM 536 C GLY A 35 89.616 1.073 12.094 1.00 0.00 C ATOM 537 O GLY A 35 90.067 -0.042 12.352 1.00 0.00 O ATOM 0 H GLY A 35 87.989 -0.480 10.969 1.00 0.00 H new ATOM 0 HA2 GLY A 35 89.755 1.573 10.017 1.00 0.00 H new ATOM 0 HA3 GLY A 35 88.351 2.244 10.825 1.00 0.00 H new ATOM 541 N GLU A 36 89.654 2.087 12.952 1.00 0.00 N ATOM 542 CA GLU A 36 90.244 1.944 14.279 1.00 0.00 C ATOM 543 C GLU A 36 91.729 1.609 14.181 1.00 0.00 C ATOM 544 O GLU A 36 92.108 0.575 13.631 1.00 0.00 O ATOM 545 CB GLU A 36 89.515 0.856 15.070 1.00 0.00 C ATOM 546 CG GLU A 36 89.554 1.067 16.574 1.00 0.00 C ATOM 547 CD GLU A 36 88.517 0.238 17.306 1.00 0.00 C ATOM 548 OE1 GLU A 36 88.082 -0.792 16.751 1.00 0.00 O ATOM 549 OE2 GLU A 36 88.141 0.618 18.435 1.00 0.00 O ATOM 0 H GLU A 36 89.284 3.016 12.753 1.00 0.00 H new ATOM 0 HA GLU A 36 90.138 2.895 14.801 1.00 0.00 H new ATOM 0 HB2 GLU A 36 88.476 0.816 14.744 1.00 0.00 H new ATOM 0 HB3 GLU A 36 89.960 -0.111 14.836 1.00 0.00 H new ATOM 0 HG2 GLU A 36 90.546 0.813 16.947 1.00 0.00 H new ATOM 0 HG3 GLU A 36 89.391 2.122 16.794 1.00 0.00 H new ATOM 556 N VAL A 37 92.566 2.490 14.719 1.00 0.00 N ATOM 557 CA VAL A 37 94.010 2.288 14.691 1.00 0.00 C ATOM 558 C VAL A 37 94.569 2.122 16.100 1.00 0.00 C ATOM 559 O VAL A 37 95.213 1.119 16.407 1.00 0.00 O ATOM 560 CB VAL A 37 94.728 3.464 14.001 1.00 0.00 C ATOM 561 CG1 VAL A 37 96.202 3.145 13.794 1.00 0.00 C ATOM 562 CG2 VAL A 37 94.056 3.799 12.678 1.00 0.00 C ATOM 0 H VAL A 37 92.269 3.350 15.179 1.00 0.00 H new ATOM 0 HA VAL A 37 94.191 1.377 14.121 1.00 0.00 H new ATOM 0 HB VAL A 37 94.658 4.338 14.649 1.00 0.00 H new ATOM 0 HG11 VAL A 37 96.691 3.988 13.306 1.00 0.00 H new ATOM 0 HG12 VAL A 37 96.674 2.961 14.759 1.00 0.00 H new ATOM 0 HG13 VAL A 37 96.298 2.257 13.169 1.00 0.00 H new ATOM 0 HG21 VAL A 37 94.577 4.632 12.206 1.00 0.00 H new ATOM 0 HG22 VAL A 37 94.091 2.930 12.022 1.00 0.00 H new ATOM 0 HG23 VAL A 37 93.017 4.076 12.857 1.00 0.00 H new ATOM 572 N THR A 38 94.321 3.115 16.950 1.00 0.00 N ATOM 573 CA THR A 38 94.793 3.090 18.333 1.00 0.00 C ATOM 574 C THR A 38 96.312 3.237 18.407 1.00 0.00 C ATOM 575 O THR A 38 96.822 4.196 18.987 1.00 0.00 O ATOM 576 CB THR A 38 94.367 1.796 19.065 1.00 0.00 C ATOM 577 OG1 THR A 38 95.298 0.739 18.801 1.00 0.00 O ATOM 578 CG2 THR A 38 92.969 1.365 18.644 1.00 0.00 C ATOM 0 H THR A 38 93.793 3.952 16.704 1.00 0.00 H new ATOM 0 HA THR A 38 94.328 3.940 18.832 1.00 0.00 H new ATOM 0 HB THR A 38 94.359 2.007 20.134 1.00 0.00 H new ATOM 0 HG1 THR A 38 95.172 0.413 17.885 1.00 0.00 H new ATOM 0 HG21 THR A 38 92.695 0.453 19.174 1.00 0.00 H new ATOM 0 HG22 THR A 38 92.257 2.154 18.886 1.00 0.00 H new ATOM 0 HG23 THR A 38 92.953 1.180 17.570 1.00 0.00 H new ATOM 586 N LEU A 39 97.032 2.287 17.817 1.00 0.00 N ATOM 587 CA LEU A 39 98.490 2.320 17.820 1.00 0.00 C ATOM 588 C LEU A 39 99.031 2.651 16.433 1.00 0.00 C ATOM 589 O LEU A 39 98.411 2.326 15.420 1.00 0.00 O ATOM 590 CB LEU A 39 99.051 0.978 18.294 1.00 0.00 C ATOM 591 CG LEU A 39 99.151 0.818 19.813 1.00 0.00 C ATOM 592 CD1 LEU A 39 97.903 0.146 20.363 1.00 0.00 C ATOM 593 CD2 LEU A 39 100.394 0.022 20.185 1.00 0.00 C ATOM 0 H LEU A 39 96.629 1.486 17.331 1.00 0.00 H new ATOM 0 HA LEU A 39 98.809 3.102 18.509 1.00 0.00 H new ATOM 0 HB2 LEU A 39 98.422 0.179 17.900 1.00 0.00 H new ATOM 0 HB3 LEU A 39 100.043 0.844 17.864 1.00 0.00 H new ATOM 0 HG LEU A 39 99.231 1.810 20.258 1.00 0.00 H new ATOM 0 HD11 LEU A 39 97.993 0.041 21.444 1.00 0.00 H new ATOM 0 HD12 LEU A 39 97.029 0.754 20.129 1.00 0.00 H new ATOM 0 HD13 LEU A 39 97.791 -0.839 19.911 1.00 0.00 H new ATOM 0 HD21 LEU A 39 100.449 -0.082 21.269 1.00 0.00 H new ATOM 0 HD22 LEU A 39 100.344 -0.966 19.728 1.00 0.00 H new ATOM 0 HD23 LEU A 39 101.281 0.543 19.825 1.00 0.00 H new ATOM 605 N ILE A 40 100.191 3.298 16.395 1.00 0.00 N ATOM 606 CA ILE A 40 100.816 3.675 15.132 1.00 0.00 C ATOM 607 C ILE A 40 102.316 3.394 15.156 1.00 0.00 C ATOM 608 O ILE A 40 102.967 3.531 16.193 1.00 0.00 O ATOM 609 CB ILE A 40 100.586 5.168 14.816 1.00 0.00 C ATOM 610 CG1 ILE A 40 101.180 5.522 13.449 1.00 0.00 C ATOM 611 CG2 ILE A 40 101.186 6.042 15.909 1.00 0.00 C ATOM 612 CD1 ILE A 40 101.032 6.984 13.085 1.00 0.00 C ATOM 0 H ILE A 40 100.718 3.572 17.224 1.00 0.00 H new ATOM 0 HA ILE A 40 100.350 3.071 14.353 1.00 0.00 H new ATOM 0 HB ILE A 40 99.513 5.355 14.781 1.00 0.00 H new ATOM 0 HG12 ILE A 40 102.238 5.260 13.443 1.00 0.00 H new ATOM 0 HG13 ILE A 40 100.697 4.915 12.684 1.00 0.00 H new ATOM 0 HG21 ILE A 40 101.015 7.092 15.670 1.00 0.00 H new ATOM 0 HG22 ILE A 40 100.716 5.805 16.863 1.00 0.00 H new ATOM 0 HG23 ILE A 40 102.258 5.855 15.977 1.00 0.00 H new ATOM 0 HD11 ILE A 40 101.475 7.162 12.105 1.00 0.00 H new ATOM 0 HD12 ILE A 40 99.975 7.247 13.058 1.00 0.00 H new ATOM 0 HD13 ILE A 40 101.540 7.597 13.829 1.00 0.00 H new ATOM 624 N ASN A 41 102.859 3.002 14.009 1.00 0.00 N ATOM 625 CA ASN A 41 104.282 2.706 13.898 1.00 0.00 C ATOM 626 C ASN A 41 105.112 3.974 14.063 1.00 0.00 C ATOM 627 O ASN A 41 104.575 5.081 14.076 1.00 0.00 O ATOM 628 CB ASN A 41 104.586 2.054 12.548 1.00 0.00 C ATOM 629 CG ASN A 41 105.787 1.131 12.607 1.00 0.00 C ATOM 630 OD1 ASN A 41 105.833 0.206 13.419 1.00 0.00 O ATOM 631 ND2 ASN A 41 106.767 1.377 11.747 1.00 0.00 N ATOM 0 H ASN A 41 102.335 2.882 13.142 1.00 0.00 H new ATOM 0 HA ASN A 41 104.548 2.011 14.695 1.00 0.00 H new ATOM 0 HB2 ASN A 41 103.714 1.490 12.216 1.00 0.00 H new ATOM 0 HB3 ASN A 41 104.765 2.831 11.805 1.00 0.00 H new ATOM 0 HD21 ASN A 41 107.600 0.789 11.741 1.00 0.00 H new ATOM 0 HD22 ASN A 41 106.687 2.154 11.091 1.00 0.00 H new ATOM 638 N ASP A 42 106.424 3.807 14.191 1.00 0.00 N ATOM 639 CA ASP A 42 107.326 4.940 14.356 1.00 0.00 C ATOM 640 C ASP A 42 107.413 5.758 13.071 1.00 0.00 C ATOM 641 O ASP A 42 107.147 6.959 13.067 1.00 0.00 O ATOM 642 CB ASP A 42 108.719 4.456 14.762 1.00 0.00 C ATOM 643 CG ASP A 42 109.614 5.590 15.220 1.00 0.00 C ATOM 644 OD1 ASP A 42 109.318 6.192 16.274 1.00 0.00 O ATOM 645 OD2 ASP A 42 110.612 5.878 14.525 1.00 0.00 O ATOM 0 H ASP A 42 106.886 2.898 14.184 1.00 0.00 H new ATOM 0 HA ASP A 42 106.927 5.578 15.145 1.00 0.00 H new ATOM 0 HB2 ASP A 42 108.627 3.723 15.564 1.00 0.00 H new ATOM 0 HB3 ASP A 42 109.184 3.948 13.918 1.00 0.00 H new ATOM 650 N ALA A 43 107.789 5.098 11.980 1.00 0.00 N ATOM 651 CA ALA A 43 107.912 5.763 10.688 1.00 0.00 C ATOM 652 C ALA A 43 106.585 6.373 10.251 1.00 0.00 C ATOM 653 O ALA A 43 106.556 7.376 9.538 1.00 0.00 O ATOM 654 CB ALA A 43 108.415 4.785 9.638 1.00 0.00 C ATOM 0 H ALA A 43 108.014 4.103 11.965 1.00 0.00 H new ATOM 0 HA ALA A 43 108.634 6.572 10.794 1.00 0.00 H new ATOM 0 HB1 ALA A 43 108.502 5.294 8.678 1.00 0.00 H new ATOM 0 HB2 ALA A 43 109.391 4.402 9.936 1.00 0.00 H new ATOM 0 HB3 ALA A 43 107.713 3.956 9.546 1.00 0.00 H new ATOM 660 N ALA A 44 105.486 5.762 10.682 1.00 0.00 N ATOM 661 CA ALA A 44 104.155 6.246 10.333 1.00 0.00 C ATOM 662 C ALA A 44 103.865 7.590 10.994 1.00 0.00 C ATOM 663 O ALA A 44 103.112 8.405 10.461 1.00 0.00 O ATOM 664 CB ALA A 44 103.102 5.224 10.730 1.00 0.00 C ATOM 0 H ALA A 44 105.491 4.931 11.273 1.00 0.00 H new ATOM 0 HA ALA A 44 104.121 6.388 9.253 1.00 0.00 H new ATOM 0 HB1 ALA A 44 102.113 5.598 10.464 1.00 0.00 H new ATOM 0 HB2 ALA A 44 103.289 4.287 10.206 1.00 0.00 H new ATOM 0 HB3 ALA A 44 103.148 5.053 11.806 1.00 0.00 H new ATOM 670 N GLN A 45 104.466 7.816 12.157 1.00 0.00 N ATOM 671 CA GLN A 45 104.268 9.061 12.892 1.00 0.00 C ATOM 672 C GLN A 45 104.895 10.242 12.155 1.00 0.00 C ATOM 673 O GLN A 45 104.457 11.382 12.309 1.00 0.00 O ATOM 674 CB GLN A 45 104.862 8.948 14.297 1.00 0.00 C ATOM 675 CG GLN A 45 104.141 7.946 15.183 1.00 0.00 C ATOM 676 CD GLN A 45 105.095 7.124 16.026 1.00 0.00 C ATOM 677 OE1 GLN A 45 106.263 7.481 16.190 1.00 0.00 O ATOM 678 NE2 GLN A 45 104.605 6.015 16.566 1.00 0.00 N ATOM 0 H GLN A 45 105.094 7.154 12.612 1.00 0.00 H new ATOM 0 HA GLN A 45 103.195 9.237 12.970 1.00 0.00 H new ATOM 0 HB2 GLN A 45 105.911 8.661 14.217 1.00 0.00 H new ATOM 0 HB3 GLN A 45 104.835 9.928 14.774 1.00 0.00 H new ATOM 0 HG2 GLN A 45 103.449 8.476 15.837 1.00 0.00 H new ATOM 0 HG3 GLN A 45 103.544 7.279 14.561 1.00 0.00 H new ATOM 0 HE21 GLN A 45 103.632 5.756 16.405 1.00 0.00 H new ATOM 0 HE22 GLN A 45 105.202 5.422 17.142 1.00 0.00 H new ATOM 687 N GLU A 46 105.920 9.964 11.356 1.00 0.00 N ATOM 688 CA GLU A 46 106.604 11.008 10.599 1.00 0.00 C ATOM 689 C GLU A 46 105.624 11.783 9.723 1.00 0.00 C ATOM 690 O GLU A 46 105.848 12.954 9.412 1.00 0.00 O ATOM 691 CB GLU A 46 107.708 10.400 9.733 1.00 0.00 C ATOM 692 CG GLU A 46 109.016 10.182 10.478 1.00 0.00 C ATOM 693 CD GLU A 46 110.087 11.178 10.078 1.00 0.00 C ATOM 694 OE1 GLU A 46 110.221 11.454 8.868 1.00 0.00 O ATOM 695 OE2 GLU A 46 110.792 11.683 10.977 1.00 0.00 O ATOM 0 H GLU A 46 106.295 9.026 11.216 1.00 0.00 H new ATOM 0 HA GLU A 46 107.050 11.702 11.312 1.00 0.00 H new ATOM 0 HB2 GLU A 46 107.362 9.446 9.336 1.00 0.00 H new ATOM 0 HB3 GLU A 46 107.890 11.053 8.880 1.00 0.00 H new ATOM 0 HG2 GLU A 46 108.836 10.258 11.550 1.00 0.00 H new ATOM 0 HG3 GLU A 46 109.375 9.171 10.286 1.00 0.00 H new ATOM 702 N LEU A 47 104.538 11.125 9.328 1.00 0.00 N ATOM 703 CA LEU A 47 103.524 11.756 8.488 1.00 0.00 C ATOM 704 C LEU A 47 102.991 13.028 9.139 1.00 0.00 C ATOM 705 O LEU A 47 103.054 14.109 8.555 1.00 0.00 O ATOM 706 CB LEU A 47 102.374 10.781 8.225 1.00 0.00 C ATOM 707 CG LEU A 47 102.547 9.897 6.989 1.00 0.00 C ATOM 708 CD1 LEU A 47 102.011 8.497 7.252 1.00 0.00 C ATOM 709 CD2 LEU A 47 101.850 10.519 5.788 1.00 0.00 C ATOM 0 H LEU A 47 104.337 10.156 9.576 1.00 0.00 H new ATOM 0 HA LEU A 47 103.988 12.025 7.539 1.00 0.00 H new ATOM 0 HB2 LEU A 47 102.254 10.140 9.098 1.00 0.00 H new ATOM 0 HB3 LEU A 47 101.451 11.351 8.119 1.00 0.00 H new ATOM 0 HG LEU A 47 103.612 9.820 6.768 1.00 0.00 H new ATOM 0 HD11 LEU A 47 102.143 7.883 6.361 1.00 0.00 H new ATOM 0 HD12 LEU A 47 102.554 8.050 8.084 1.00 0.00 H new ATOM 0 HD13 LEU A 47 100.951 8.554 7.499 1.00 0.00 H new ATOM 0 HD21 LEU A 47 101.983 9.877 4.917 1.00 0.00 H new ATOM 0 HD22 LEU A 47 100.786 10.627 6.000 1.00 0.00 H new ATOM 0 HD23 LEU A 47 102.281 11.500 5.585 1.00 0.00 H new ATOM 721 N LEU A 48 102.464 12.891 10.352 1.00 0.00 N ATOM 722 CA LEU A 48 101.922 14.030 11.082 1.00 0.00 C ATOM 723 C LEU A 48 103.039 14.842 11.729 1.00 0.00 C ATOM 724 O LEU A 48 103.232 16.015 11.412 1.00 0.00 O ATOM 725 CB LEU A 48 100.936 13.556 12.151 1.00 0.00 C ATOM 726 CG LEU A 48 99.939 14.615 12.627 1.00 0.00 C ATOM 727 CD1 LEU A 48 98.615 14.472 11.892 1.00 0.00 C ATOM 728 CD2 LEU A 48 99.729 14.513 14.131 1.00 0.00 C ATOM 0 H LEU A 48 102.401 12.003 10.849 1.00 0.00 H new ATOM 0 HA LEU A 48 101.397 14.668 10.371 1.00 0.00 H new ATOM 0 HB2 LEU A 48 100.379 12.705 11.758 1.00 0.00 H new ATOM 0 HB3 LEU A 48 101.501 13.198 13.012 1.00 0.00 H new ATOM 0 HG LEU A 48 100.351 15.599 12.403 1.00 0.00 H new ATOM 0 HD11 LEU A 48 97.919 15.234 12.244 1.00 0.00 H new ATOM 0 HD12 LEU A 48 98.778 14.596 10.821 1.00 0.00 H new ATOM 0 HD13 LEU A 48 98.198 13.483 12.083 1.00 0.00 H new ATOM 0 HD21 LEU A 48 99.017 15.274 14.451 1.00 0.00 H new ATOM 0 HD22 LEU A 48 99.340 13.525 14.378 1.00 0.00 H new ATOM 0 HD23 LEU A 48 100.679 14.667 14.642 1.00 0.00 H new ATOM 740 N ASN A 49 103.773 14.208 12.637 1.00 0.00 N ATOM 741 CA ASN A 49 104.874 14.870 13.330 1.00 0.00 C ATOM 742 C ASN A 49 105.633 13.884 14.209 1.00 0.00 C ATOM 743 O ASN A 49 105.119 12.820 14.556 1.00 0.00 O ATOM 744 CB ASN A 49 104.347 16.028 14.179 1.00 0.00 C ATOM 745 CG ASN A 49 105.415 17.064 14.471 1.00 0.00 C ATOM 746 OD1 ASN A 49 106.283 16.854 15.318 1.00 0.00 O ATOM 747 ND2 ASN A 49 105.355 18.189 13.769 1.00 0.00 N ATOM 0 H ASN A 49 103.626 13.236 12.911 1.00 0.00 H new ATOM 0 HA ASN A 49 105.560 15.262 12.579 1.00 0.00 H new ATOM 0 HB2 ASN A 49 103.514 16.505 13.662 1.00 0.00 H new ATOM 0 HB3 ASN A 49 103.957 15.638 15.119 1.00 0.00 H new ATOM 0 HD21 ASN A 49 106.047 18.923 13.922 1.00 0.00 H new ATOM 0 HD22 ASN A 49 104.617 18.320 13.077 1.00 0.00 H new ATOM 754 N TYR A 50 106.862 14.244 14.568 1.00 0.00 N ATOM 755 CA TYR A 50 107.693 13.390 15.409 1.00 0.00 C ATOM 756 C TYR A 50 107.187 13.386 16.848 1.00 0.00 C ATOM 757 O TYR A 50 107.862 13.870 17.758 1.00 0.00 O ATOM 758 CB TYR A 50 109.149 13.857 15.362 1.00 0.00 C ATOM 759 CG TYR A 50 110.149 12.723 15.350 1.00 0.00 C ATOM 760 CD1 TYR A 50 110.034 11.663 16.240 1.00 0.00 C ATOM 761 CD2 TYR A 50 111.207 12.712 14.450 1.00 0.00 C ATOM 762 CE1 TYR A 50 110.946 10.623 16.234 1.00 0.00 C ATOM 763 CE2 TYR A 50 112.122 11.677 14.437 1.00 0.00 C ATOM 764 CZ TYR A 50 111.988 10.636 15.330 1.00 0.00 C ATOM 765 OH TYR A 50 112.897 9.603 15.320 1.00 0.00 O ATOM 0 H TYR A 50 107.304 15.120 14.290 1.00 0.00 H new ATOM 0 HA TYR A 50 107.635 12.372 15.024 1.00 0.00 H new ATOM 0 HB2 TYR A 50 109.297 14.470 14.473 1.00 0.00 H new ATOM 0 HB3 TYR A 50 109.345 14.494 16.224 1.00 0.00 H new ATOM 0 HD1 TYR A 50 109.219 11.651 16.949 1.00 0.00 H new ATOM 0 HD2 TYR A 50 111.316 13.526 13.749 1.00 0.00 H new ATOM 0 HE1 TYR A 50 110.843 9.806 16.933 1.00 0.00 H new ATOM 0 HE2 TYR A 50 112.939 11.684 13.730 1.00 0.00 H new ATOM 0 HH TYR A 50 113.567 9.764 14.623 1.00 0.00 H new ATOM 775 N ARG A 51 105.994 12.837 17.050 1.00 0.00 N ATOM 776 CA ARG A 51 105.397 12.769 18.378 1.00 0.00 C ATOM 777 C ARG A 51 104.213 11.807 18.396 1.00 0.00 C ATOM 778 O ARG A 51 103.578 11.569 17.369 1.00 0.00 O ATOM 779 CB ARG A 51 104.949 14.162 18.829 1.00 0.00 C ATOM 780 CG ARG A 51 105.850 14.778 19.887 1.00 0.00 C ATOM 781 CD ARG A 51 105.129 15.862 20.670 1.00 0.00 C ATOM 782 NE ARG A 51 103.960 15.343 21.376 1.00 0.00 N ATOM 783 CZ ARG A 51 103.028 16.113 21.932 1.00 0.00 C ATOM 784 NH1 ARG A 51 103.123 17.435 21.867 1.00 0.00 N ATOM 785 NH2 ARG A 51 101.997 15.560 22.555 1.00 0.00 N ATOM 0 H ARG A 51 105.421 12.432 16.310 1.00 0.00 H new ATOM 0 HA ARG A 51 106.152 12.396 19.070 1.00 0.00 H new ATOM 0 HB2 ARG A 51 104.916 14.822 17.962 1.00 0.00 H new ATOM 0 HB3 ARG A 51 103.934 14.099 19.220 1.00 0.00 H new ATOM 0 HG2 ARG A 51 106.194 14.002 20.570 1.00 0.00 H new ATOM 0 HG3 ARG A 51 106.736 15.199 19.412 1.00 0.00 H new ATOM 0 HD2 ARG A 51 105.817 16.309 21.388 1.00 0.00 H new ATOM 0 HD3 ARG A 51 104.819 16.655 19.990 1.00 0.00 H new ATOM 0 HE ARG A 51 103.852 14.331 21.447 1.00 0.00 H new ATOM 0 HH11 ARG A 51 103.914 17.867 21.389 1.00 0.00 H new ATOM 0 HH12 ARG A 51 102.405 18.020 22.295 1.00 0.00 H new ATOM 0 HH21 ARG A 51 101.918 14.544 22.608 1.00 0.00 H new ATOM 0 HH22 ARG A 51 101.282 16.150 22.981 1.00 0.00 H new ATOM 799 N LYS A 52 103.923 11.256 19.570 1.00 0.00 N ATOM 800 CA LYS A 52 102.816 10.320 19.724 1.00 0.00 C ATOM 801 C LYS A 52 101.630 10.989 20.415 1.00 0.00 C ATOM 802 O LYS A 52 101.569 12.215 20.511 1.00 0.00 O ATOM 803 CB LYS A 52 103.268 9.095 20.523 1.00 0.00 C ATOM 804 CG LYS A 52 104.596 8.521 20.056 1.00 0.00 C ATOM 805 CD LYS A 52 104.671 7.022 20.298 1.00 0.00 C ATOM 806 CE LYS A 52 106.045 6.606 20.796 1.00 0.00 C ATOM 807 NZ LYS A 52 107.137 7.191 19.971 1.00 0.00 N ATOM 0 H LYS A 52 104.440 11.442 20.429 1.00 0.00 H new ATOM 0 HA LYS A 52 102.499 10.000 18.732 1.00 0.00 H new ATOM 0 HB2 LYS A 52 103.349 9.367 21.575 1.00 0.00 H new ATOM 0 HB3 LYS A 52 102.502 8.322 20.452 1.00 0.00 H new ATOM 0 HG2 LYS A 52 104.729 8.726 18.994 1.00 0.00 H new ATOM 0 HG3 LYS A 52 105.413 9.017 20.581 1.00 0.00 H new ATOM 0 HD2 LYS A 52 103.915 6.732 21.028 1.00 0.00 H new ATOM 0 HD3 LYS A 52 104.442 6.491 19.374 1.00 0.00 H new ATOM 0 HE2 LYS A 52 106.166 6.920 21.833 1.00 0.00 H new ATOM 0 HE3 LYS A 52 106.122 5.519 20.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 107.985 6.593 20.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 106.832 7.242 18.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 107.358 8.147 20.315 1.00 0.00 H new ATOM 821 N SER A 53 100.692 10.179 20.897 1.00 0.00 N ATOM 822 CA SER A 53 99.507 10.693 21.579 1.00 0.00 C ATOM 823 C SER A 53 98.581 11.407 20.599 1.00 0.00 C ATOM 824 O SER A 53 97.476 10.940 20.323 1.00 0.00 O ATOM 825 CB SER A 53 99.909 11.647 22.707 1.00 0.00 C ATOM 826 OG SER A 53 98.968 11.611 23.766 1.00 0.00 O ATOM 0 H SER A 53 100.729 9.162 20.828 1.00 0.00 H new ATOM 0 HA SER A 53 98.971 9.845 22.006 1.00 0.00 H new ATOM 0 HB2 SER A 53 100.895 11.375 23.083 1.00 0.00 H new ATOM 0 HB3 SER A 53 99.985 12.663 22.319 1.00 0.00 H new ATOM 0 HG SER A 53 99.249 12.228 24.474 1.00 0.00 H new ATOM 832 N GLN A 54 99.039 12.539 20.076 1.00 0.00 N ATOM 833 CA GLN A 54 98.250 13.316 19.126 1.00 0.00 C ATOM 834 C GLN A 54 97.952 12.500 17.873 1.00 0.00 C ATOM 835 O GLN A 54 96.897 12.651 17.258 1.00 0.00 O ATOM 836 CB GLN A 54 98.988 14.601 18.749 1.00 0.00 C ATOM 837 CG GLN A 54 98.078 15.682 18.188 1.00 0.00 C ATOM 838 CD GLN A 54 98.838 16.740 17.414 1.00 0.00 C ATOM 839 OE1 GLN A 54 99.238 16.523 16.270 1.00 0.00 O ATOM 840 NE2 GLN A 54 99.043 17.896 18.037 1.00 0.00 N ATOM 0 H GLN A 54 99.952 12.939 20.293 1.00 0.00 H new ATOM 0 HA GLN A 54 97.305 13.576 19.602 1.00 0.00 H new ATOM 0 HB2 GLN A 54 99.499 14.989 19.630 1.00 0.00 H new ATOM 0 HB3 GLN A 54 99.757 14.366 18.013 1.00 0.00 H new ATOM 0 HG2 GLN A 54 97.335 15.224 17.536 1.00 0.00 H new ATOM 0 HG3 GLN A 54 97.535 16.155 19.006 1.00 0.00 H new ATOM 0 HE21 GLN A 54 98.694 18.033 18.986 1.00 0.00 H new ATOM 0 HE22 GLN A 54 99.549 18.646 17.567 1.00 0.00 H new ATOM 849 N ASP A 55 98.888 11.633 17.500 1.00 0.00 N ATOM 850 CA ASP A 55 98.725 10.792 16.319 1.00 0.00 C ATOM 851 C ASP A 55 97.561 9.824 16.500 1.00 0.00 C ATOM 852 O ASP A 55 96.791 9.581 15.570 1.00 0.00 O ATOM 853 CB ASP A 55 100.015 10.016 16.037 1.00 0.00 C ATOM 854 CG ASP A 55 100.560 10.287 14.649 1.00 0.00 C ATOM 855 OD1 ASP A 55 100.127 9.603 13.697 1.00 0.00 O ATOM 856 OD2 ASP A 55 101.420 11.182 14.512 1.00 0.00 O ATOM 0 H ASP A 55 99.767 11.494 17.998 1.00 0.00 H new ATOM 0 HA ASP A 55 98.507 11.438 15.468 1.00 0.00 H new ATOM 0 HB2 ASP A 55 100.767 10.285 16.779 1.00 0.00 H new ATOM 0 HB3 ASP A 55 99.825 8.948 16.148 1.00 0.00 H new ATOM 861 N ASP A 56 97.438 9.273 17.703 1.00 0.00 N ATOM 862 CA ASP A 56 96.368 8.330 18.008 1.00 0.00 C ATOM 863 C ASP A 56 95.007 9.017 17.951 1.00 0.00 C ATOM 864 O ASP A 56 94.893 10.213 18.212 1.00 0.00 O ATOM 865 CB ASP A 56 96.583 7.712 19.390 1.00 0.00 C ATOM 866 CG ASP A 56 97.982 7.152 19.561 1.00 0.00 C ATOM 867 OD1 ASP A 56 98.614 6.812 18.539 1.00 0.00 O ATOM 868 OD2 ASP A 56 98.446 7.055 20.717 1.00 0.00 O ATOM 0 H ASP A 56 98.067 9.463 18.483 1.00 0.00 H new ATOM 0 HA ASP A 56 96.388 7.539 17.258 1.00 0.00 H new ATOM 0 HB2 ASP A 56 96.401 8.467 20.155 1.00 0.00 H new ATOM 0 HB3 ASP A 56 95.854 6.917 19.547 1.00 0.00 H new ATOM 873 N GLU A 57 93.977 8.249 17.607 1.00 0.00 N ATOM 874 CA GLU A 57 92.623 8.781 17.516 1.00 0.00 C ATOM 875 C GLU A 57 92.538 9.874 16.453 1.00 0.00 C ATOM 876 O GLU A 57 92.093 10.989 16.727 1.00 0.00 O ATOM 877 CB GLU A 57 92.175 9.331 18.872 1.00 0.00 C ATOM 878 CG GLU A 57 91.549 8.283 19.777 1.00 0.00 C ATOM 879 CD GLU A 57 90.951 8.880 21.035 1.00 0.00 C ATOM 880 OE1 GLU A 57 89.784 9.323 20.985 1.00 0.00 O ATOM 881 OE2 GLU A 57 91.649 8.906 22.070 1.00 0.00 O ATOM 0 H GLU A 57 94.055 7.256 17.387 1.00 0.00 H new ATOM 0 HA GLU A 57 91.958 7.967 17.227 1.00 0.00 H new ATOM 0 HB2 GLU A 57 93.035 9.770 19.379 1.00 0.00 H new ATOM 0 HB3 GLU A 57 91.457 10.134 18.709 1.00 0.00 H new ATOM 0 HG2 GLU A 57 90.772 7.751 19.227 1.00 0.00 H new ATOM 0 HG3 GLU A 57 92.305 7.548 20.052 1.00 0.00 H new ATOM 888 N LYS A 58 92.967 9.545 15.239 1.00 0.00 N ATOM 889 CA LYS A 58 92.938 10.498 14.135 1.00 0.00 C ATOM 890 C LYS A 58 91.613 10.417 13.383 1.00 0.00 C ATOM 891 O LYS A 58 90.688 9.727 13.810 1.00 0.00 O ATOM 892 CB LYS A 58 94.100 10.231 13.175 1.00 0.00 C ATOM 893 CG LYS A 58 94.715 11.497 12.598 1.00 0.00 C ATOM 894 CD LYS A 58 94.712 11.479 11.078 1.00 0.00 C ATOM 895 CE LYS A 58 95.984 12.087 10.510 1.00 0.00 C ATOM 896 NZ LYS A 58 96.257 11.613 9.124 1.00 0.00 N ATOM 0 H LYS A 58 93.338 8.627 14.995 1.00 0.00 H new ATOM 0 HA LYS A 58 93.040 11.501 14.549 1.00 0.00 H new ATOM 0 HB2 LYS A 58 94.872 9.668 13.700 1.00 0.00 H new ATOM 0 HB3 LYS A 58 93.748 9.602 12.357 1.00 0.00 H new ATOM 0 HG2 LYS A 58 94.161 12.366 12.953 1.00 0.00 H new ATOM 0 HG3 LYS A 58 95.738 11.602 12.959 1.00 0.00 H new ATOM 0 HD2 LYS A 58 94.610 10.453 10.726 1.00 0.00 H new ATOM 0 HD3 LYS A 58 93.848 12.031 10.708 1.00 0.00 H new ATOM 0 HE2 LYS A 58 95.899 13.174 10.512 1.00 0.00 H new ATOM 0 HE3 LYS A 58 96.826 11.832 11.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 97.133 12.051 8.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 96.364 10.579 9.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 95.465 11.878 8.504 1.00 0.00 H new ATOM 910 N LEU A 59 91.529 11.129 12.264 1.00 0.00 N ATOM 911 CA LEU A 59 90.316 11.137 11.454 1.00 0.00 C ATOM 912 C LEU A 59 90.442 10.174 10.276 1.00 0.00 C ATOM 913 O LEU A 59 91.054 10.500 9.259 1.00 0.00 O ATOM 914 CB LEU A 59 90.025 12.551 10.944 1.00 0.00 C ATOM 915 CG LEU A 59 90.314 13.672 11.944 1.00 0.00 C ATOM 916 CD1 LEU A 59 91.665 14.308 11.657 1.00 0.00 C ATOM 917 CD2 LEU A 59 89.211 14.721 11.905 1.00 0.00 C ATOM 0 H LEU A 59 92.285 11.707 11.898 1.00 0.00 H new ATOM 0 HA LEU A 59 89.488 10.808 12.082 1.00 0.00 H new ATOM 0 HB2 LEU A 59 90.616 12.725 10.045 1.00 0.00 H new ATOM 0 HB3 LEU A 59 88.976 12.607 10.652 1.00 0.00 H new ATOM 0 HG LEU A 59 90.343 13.240 12.945 1.00 0.00 H new ATOM 0 HD11 LEU A 59 91.853 15.103 12.378 1.00 0.00 H new ATOM 0 HD12 LEU A 59 92.447 13.553 11.737 1.00 0.00 H new ATOM 0 HD13 LEU A 59 91.664 14.725 10.650 1.00 0.00 H new ATOM 0 HD21 LEU A 59 89.434 15.510 12.623 1.00 0.00 H new ATOM 0 HD22 LEU A 59 89.150 15.148 10.904 1.00 0.00 H new ATOM 0 HD23 LEU A 59 88.258 14.257 12.160 1.00 0.00 H new ATOM 929 N SER A 60 89.860 8.989 10.422 1.00 0.00 N ATOM 930 CA SER A 60 89.909 7.979 9.371 1.00 0.00 C ATOM 931 C SER A 60 88.766 8.168 8.379 1.00 0.00 C ATOM 932 O SER A 60 88.992 8.447 7.202 1.00 0.00 O ATOM 933 CB SER A 60 89.845 6.576 9.979 1.00 0.00 C ATOM 934 OG SER A 60 90.880 6.384 10.927 1.00 0.00 O ATOM 0 H SER A 60 89.349 8.704 11.257 1.00 0.00 H new ATOM 0 HA SER A 60 90.852 8.094 8.837 1.00 0.00 H new ATOM 0 HB2 SER A 60 88.877 6.427 10.458 1.00 0.00 H new ATOM 0 HB3 SER A 60 89.928 5.830 9.189 1.00 0.00 H new ATOM 0 HG SER A 60 90.816 5.481 11.302 1.00 0.00 H new ATOM 940 N THR A 61 87.538 8.014 8.863 1.00 0.00 N ATOM 941 CA THR A 61 86.359 8.166 8.018 1.00 0.00 C ATOM 942 C THR A 61 85.960 9.631 7.889 1.00 0.00 C ATOM 943 O THR A 61 86.381 10.472 8.684 1.00 0.00 O ATOM 944 CB THR A 61 85.164 7.368 8.572 1.00 0.00 C ATOM 945 OG1 THR A 61 85.122 7.476 10.000 1.00 0.00 O ATOM 946 CG2 THR A 61 85.260 5.903 8.173 1.00 0.00 C ATOM 0 H THR A 61 87.333 7.784 9.835 1.00 0.00 H new ATOM 0 HA THR A 61 86.623 7.776 7.035 1.00 0.00 H new ATOM 0 HB THR A 61 84.250 7.785 8.149 1.00 0.00 H new ATOM 0 HG1 THR A 61 84.358 6.967 10.344 1.00 0.00 H new ATOM 0 HG21 THR A 61 84.405 5.359 8.576 1.00 0.00 H new ATOM 0 HG22 THR A 61 85.263 5.821 7.086 1.00 0.00 H new ATOM 0 HG23 THR A 61 86.181 5.477 8.571 1.00 0.00 H new ATOM 954 N LEU A 62 85.147 9.931 6.881 1.00 0.00 N ATOM 955 CA LEU A 62 84.690 11.295 6.647 1.00 0.00 C ATOM 956 C LEU A 62 83.363 11.554 7.353 1.00 0.00 C ATOM 957 O LEU A 62 82.813 10.668 8.007 1.00 0.00 O ATOM 958 CB LEU A 62 84.540 11.555 5.147 1.00 0.00 C ATOM 959 CG LEU A 62 85.812 12.026 4.440 1.00 0.00 C ATOM 960 CD1 LEU A 62 85.681 11.855 2.935 1.00 0.00 C ATOM 961 CD2 LEU A 62 86.109 13.476 4.790 1.00 0.00 C ATOM 0 H LEU A 62 84.791 9.247 6.213 1.00 0.00 H new ATOM 0 HA LEU A 62 85.437 11.976 7.055 1.00 0.00 H new ATOM 0 HB2 LEU A 62 84.195 10.639 4.668 1.00 0.00 H new ATOM 0 HB3 LEU A 62 83.762 12.304 5.000 1.00 0.00 H new ATOM 0 HG LEU A 62 86.645 11.412 4.783 1.00 0.00 H new ATOM 0 HD11 LEU A 62 86.595 12.195 2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 62 85.516 10.803 2.701 1.00 0.00 H new ATOM 0 HD13 LEU A 62 84.838 12.444 2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 62 87.017 13.795 4.279 1.00 0.00 H new ATOM 0 HD22 LEU A 62 85.276 14.104 4.475 1.00 0.00 H new ATOM 0 HD23 LEU A 62 86.247 13.569 5.867 1.00 0.00 H new ATOM 973 N SER A 63 82.853 12.774 7.216 1.00 0.00 N ATOM 974 CA SER A 63 81.590 13.150 7.841 1.00 0.00 C ATOM 975 C SER A 63 80.592 13.638 6.796 1.00 0.00 C ATOM 976 O SER A 63 80.528 14.828 6.493 1.00 0.00 O ATOM 977 CB SER A 63 81.820 14.239 8.890 1.00 0.00 C ATOM 978 OG SER A 63 83.108 14.124 9.470 1.00 0.00 O ATOM 0 H SER A 63 83.295 13.519 6.678 1.00 0.00 H new ATOM 0 HA SER A 63 81.177 12.267 8.329 1.00 0.00 H new ATOM 0 HB2 SER A 63 81.711 15.221 8.429 1.00 0.00 H new ATOM 0 HB3 SER A 63 81.060 14.166 9.668 1.00 0.00 H new ATOM 0 HG SER A 63 83.231 14.832 10.136 1.00 0.00 H new ATOM 984 N HIS A 64 79.815 12.709 6.249 1.00 0.00 N ATOM 985 CA HIS A 64 78.819 13.044 5.238 1.00 0.00 C ATOM 986 C HIS A 64 77.967 11.828 4.890 1.00 0.00 C ATOM 987 O HIS A 64 78.432 10.690 4.963 1.00 0.00 O ATOM 988 CB HIS A 64 79.501 13.579 3.978 1.00 0.00 C ATOM 989 CG HIS A 64 78.674 14.576 3.229 1.00 0.00 C ATOM 990 ND1 HIS A 64 77.885 15.521 3.852 1.00 0.00 N ATOM 991 CD2 HIS A 64 78.513 14.774 1.899 1.00 0.00 C ATOM 992 CE1 HIS A 64 77.275 16.254 2.939 1.00 0.00 C ATOM 993 NE2 HIS A 64 77.641 15.822 1.746 1.00 0.00 N ATOM 0 H HIS A 64 79.856 11.718 6.489 1.00 0.00 H new ATOM 0 HA HIS A 64 78.168 13.817 5.647 1.00 0.00 H new ATOM 0 HB2 HIS A 64 80.449 14.040 4.256 1.00 0.00 H new ATOM 0 HB3 HIS A 64 79.734 12.743 3.318 1.00 0.00 H new ATOM 0 HD2 HIS A 64 78.984 14.211 1.106 1.00 0.00 H new ATOM 0 HE1 HIS A 64 76.593 17.068 3.134 1.00 0.00 H new ATOM 0 HE2 HIS A 64 77.326 16.206 0.855 1.00 0.00 H new ATOM 1001 N SER A 65 76.717 12.075 4.513 1.00 0.00 N ATOM 1002 CA SER A 65 75.799 11.001 4.154 1.00 0.00 C ATOM 1003 C SER A 65 75.527 10.998 2.653 1.00 0.00 C ATOM 1004 O SER A 65 74.418 11.301 2.211 1.00 0.00 O ATOM 1005 CB SER A 65 74.486 11.144 4.925 1.00 0.00 C ATOM 1006 OG SER A 65 73.511 10.232 4.449 1.00 0.00 O ATOM 0 H SER A 65 76.316 13.011 4.448 1.00 0.00 H new ATOM 0 HA SER A 65 76.265 10.053 4.421 1.00 0.00 H new ATOM 0 HB2 SER A 65 74.663 10.970 5.986 1.00 0.00 H new ATOM 0 HB3 SER A 65 74.113 12.163 4.827 1.00 0.00 H new ATOM 0 HG SER A 65 73.217 10.505 3.555 1.00 0.00 H new ATOM 1012 N TRP A 66 76.547 10.654 1.873 1.00 0.00 N ATOM 1013 CA TRP A 66 76.420 10.612 0.421 1.00 0.00 C ATOM 1014 C TRP A 66 77.599 9.875 -0.206 1.00 0.00 C ATOM 1015 O TRP A 66 78.119 10.284 -1.243 1.00 0.00 O ATOM 1016 CB TRP A 66 76.326 12.030 -0.146 1.00 0.00 C ATOM 1017 CG TRP A 66 75.362 12.156 -1.288 1.00 0.00 C ATOM 1018 CD1 TRP A 66 74.759 11.139 -1.971 1.00 0.00 C ATOM 1019 CD2 TRP A 66 74.892 13.373 -1.881 1.00 0.00 C ATOM 1020 NE1 TRP A 66 73.942 11.648 -2.951 1.00 0.00 N ATOM 1021 CE2 TRP A 66 74.007 13.016 -2.917 1.00 0.00 C ATOM 1022 CE3 TRP A 66 75.133 14.728 -1.637 1.00 0.00 C ATOM 1023 CZ2 TRP A 66 73.364 13.966 -3.706 1.00 0.00 C ATOM 1024 CZ3 TRP A 66 74.493 15.670 -2.421 1.00 0.00 C ATOM 1025 CH2 TRP A 66 73.617 15.285 -3.445 1.00 0.00 C ATOM 0 H TRP A 66 77.471 10.400 2.223 1.00 0.00 H new ATOM 0 HA TRP A 66 75.506 10.071 0.176 1.00 0.00 H new ATOM 0 HB2 TRP A 66 76.025 12.712 0.650 1.00 0.00 H new ATOM 0 HB3 TRP A 66 77.315 12.346 -0.479 1.00 0.00 H new ATOM 0 HD1 TRP A 66 74.903 10.088 -1.770 1.00 0.00 H new ATOM 0 HE1 TRP A 66 73.379 11.097 -3.599 1.00 0.00 H new ATOM 0 HE3 TRP A 66 75.807 15.034 -0.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 72.689 13.672 -4.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 74.671 16.720 -2.241 1.00 0.00 H new ATOM 0 HH2 TRP A 66 73.132 16.045 -4.040 1.00 0.00 H new ATOM 1036 N SER A 67 78.016 8.787 0.432 1.00 0.00 N ATOM 1037 CA SER A 67 79.136 7.993 -0.061 1.00 0.00 C ATOM 1038 C SER A 67 78.727 6.536 -0.256 1.00 0.00 C ATOM 1039 O SER A 67 77.919 6.000 0.502 1.00 0.00 O ATOM 1040 CB SER A 67 80.313 8.079 0.913 1.00 0.00 C ATOM 1041 OG SER A 67 79.868 8.346 2.230 1.00 0.00 O ATOM 0 H SER A 67 77.595 8.434 1.292 1.00 0.00 H new ATOM 0 HA SER A 67 79.440 8.397 -1.027 1.00 0.00 H new ATOM 0 HB2 SER A 67 80.871 7.143 0.897 1.00 0.00 H new ATOM 0 HB3 SER A 67 80.998 8.863 0.592 1.00 0.00 H new ATOM 0 HG SER A 67 80.639 8.394 2.832 1.00 0.00 H new ATOM 1047 N GLN A 68 79.291 5.901 -1.279 1.00 0.00 N ATOM 1048 CA GLN A 68 78.987 4.505 -1.573 1.00 0.00 C ATOM 1049 C GLN A 68 79.793 3.572 -0.677 1.00 0.00 C ATOM 1050 O GLN A 68 80.851 3.079 -1.068 1.00 0.00 O ATOM 1051 CB GLN A 68 79.278 4.197 -3.044 1.00 0.00 C ATOM 1052 CG GLN A 68 78.507 5.076 -4.014 1.00 0.00 C ATOM 1053 CD GLN A 68 78.025 4.316 -5.233 1.00 0.00 C ATOM 1054 OE1 GLN A 68 78.763 4.140 -6.201 1.00 0.00 O ATOM 1055 NE2 GLN A 68 76.778 3.859 -5.190 1.00 0.00 N ATOM 0 H GLN A 68 79.960 6.331 -1.918 1.00 0.00 H new ATOM 0 HA GLN A 68 77.927 4.341 -1.377 1.00 0.00 H new ATOM 0 HB2 GLN A 68 80.346 4.318 -3.227 1.00 0.00 H new ATOM 0 HB3 GLN A 68 79.037 3.153 -3.242 1.00 0.00 H new ATOM 0 HG2 GLN A 68 77.650 5.513 -3.501 1.00 0.00 H new ATOM 0 HG3 GLN A 68 79.142 5.902 -4.333 1.00 0.00 H new ATOM 0 HE21 GLN A 68 76.201 4.028 -4.366 1.00 0.00 H new ATOM 0 HE22 GLN A 68 76.398 3.339 -5.981 1.00 0.00 H new ATOM 1064 N VAL A 69 79.285 3.333 0.528 1.00 0.00 N ATOM 1065 CA VAL A 69 79.958 2.459 1.482 1.00 0.00 C ATOM 1066 C VAL A 69 80.022 1.027 0.963 1.00 0.00 C ATOM 1067 O VAL A 69 80.982 0.303 1.229 1.00 0.00 O ATOM 1068 CB VAL A 69 79.248 2.464 2.849 1.00 0.00 C ATOM 1069 CG1 VAL A 69 80.113 1.787 3.902 1.00 0.00 C ATOM 1070 CG2 VAL A 69 78.902 3.885 3.268 1.00 0.00 C ATOM 0 H VAL A 69 78.410 3.732 0.867 1.00 0.00 H new ATOM 0 HA VAL A 69 80.970 2.846 1.605 1.00 0.00 H new ATOM 0 HB VAL A 69 78.319 1.901 2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 69 79.595 1.800 4.861 1.00 0.00 H new ATOM 0 HG12 VAL A 69 80.305 0.755 3.607 1.00 0.00 H new ATOM 0 HG13 VAL A 69 81.059 2.320 3.993 1.00 0.00 H new ATOM 0 HG21 VAL A 69 78.401 3.867 4.236 1.00 0.00 H new ATOM 0 HG22 VAL A 69 79.816 4.475 3.343 1.00 0.00 H new ATOM 0 HG23 VAL A 69 78.241 4.332 2.526 1.00 0.00 H new ATOM 1080 N VAL A 70 78.996 0.624 0.223 1.00 0.00 N ATOM 1081 CA VAL A 70 78.934 -0.723 -0.332 1.00 0.00 C ATOM 1082 C VAL A 70 79.976 -0.915 -1.429 1.00 0.00 C ATOM 1083 O VAL A 70 80.496 -2.014 -1.619 1.00 0.00 O ATOM 1084 CB VAL A 70 77.539 -1.029 -0.908 1.00 0.00 C ATOM 1085 CG1 VAL A 70 77.424 -2.502 -1.272 1.00 0.00 C ATOM 1086 CG2 VAL A 70 76.451 -0.627 0.078 1.00 0.00 C ATOM 0 H VAL A 70 78.195 1.212 -0.007 1.00 0.00 H new ATOM 0 HA VAL A 70 79.141 -1.412 0.487 1.00 0.00 H new ATOM 0 HB VAL A 70 77.405 -0.442 -1.817 1.00 0.00 H new ATOM 0 HG11 VAL A 70 76.432 -2.700 -1.677 1.00 0.00 H new ATOM 0 HG12 VAL A 70 78.178 -2.752 -2.019 1.00 0.00 H new ATOM 0 HG13 VAL A 70 77.580 -3.110 -0.381 1.00 0.00 H new ATOM 0 HG21 VAL A 70 75.473 -0.851 -0.348 1.00 0.00 H new ATOM 0 HG22 VAL A 70 76.578 -1.183 1.007 1.00 0.00 H new ATOM 0 HG23 VAL A 70 76.521 0.441 0.282 1.00 0.00 H new ATOM 1096 N ASP A 71 80.275 0.161 -2.150 1.00 0.00 N ATOM 1097 CA ASP A 71 81.255 0.108 -3.229 1.00 0.00 C ATOM 1098 C ASP A 71 82.624 -0.309 -2.703 1.00 0.00 C ATOM 1099 O ASP A 71 83.219 -1.270 -3.190 1.00 0.00 O ATOM 1100 CB ASP A 71 81.355 1.469 -3.921 1.00 0.00 C ATOM 1101 CG ASP A 71 82.146 1.404 -5.214 1.00 0.00 C ATOM 1102 OD1 ASP A 71 82.968 0.474 -5.360 1.00 0.00 O ATOM 1103 OD2 ASP A 71 81.944 2.280 -6.079 1.00 0.00 O ATOM 0 H ASP A 71 79.853 1.079 -2.007 1.00 0.00 H new ATOM 0 HA ASP A 71 80.922 -0.637 -3.952 1.00 0.00 H new ATOM 0 HB2 ASP A 71 80.352 1.842 -4.130 1.00 0.00 H new ATOM 0 HB3 ASP A 71 81.826 2.183 -3.246 1.00 0.00 H new ATOM 1108 N VAL A 72 83.117 0.418 -1.706 1.00 0.00 N ATOM 1109 CA VAL A 72 84.418 0.122 -1.116 1.00 0.00 C ATOM 1110 C VAL A 72 84.377 -1.173 -0.312 1.00 0.00 C ATOM 1111 O VAL A 72 85.385 -1.868 -0.186 1.00 0.00 O ATOM 1112 CB VAL A 72 84.893 1.267 -0.200 1.00 0.00 C ATOM 1113 CG1 VAL A 72 85.218 2.506 -1.019 1.00 0.00 C ATOM 1114 CG2 VAL A 72 83.844 1.577 0.856 1.00 0.00 C ATOM 0 H VAL A 72 82.636 1.216 -1.290 1.00 0.00 H new ATOM 0 HA VAL A 72 85.121 0.011 -1.942 1.00 0.00 H new ATOM 0 HB VAL A 72 85.803 0.947 0.308 1.00 0.00 H new ATOM 0 HG11 VAL A 72 85.552 3.304 -0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 72 86.008 2.273 -1.733 1.00 0.00 H new ATOM 0 HG13 VAL A 72 84.327 2.830 -1.557 1.00 0.00 H new ATOM 0 HG21 VAL A 72 84.197 2.388 1.493 1.00 0.00 H new ATOM 0 HG22 VAL A 72 82.915 1.876 0.370 1.00 0.00 H new ATOM 0 HG23 VAL A 72 83.666 0.690 1.463 1.00 0.00 H new ATOM 1124 N SER A 73 83.206 -1.492 0.230 1.00 0.00 N ATOM 1125 CA SER A 73 83.037 -2.706 1.022 1.00 0.00 C ATOM 1126 C SER A 73 83.044 -3.943 0.130 1.00 0.00 C ATOM 1127 O SER A 73 83.467 -5.020 0.551 1.00 0.00 O ATOM 1128 CB SER A 73 81.729 -2.642 1.814 1.00 0.00 C ATOM 1129 OG SER A 73 81.824 -1.718 2.884 1.00 0.00 O ATOM 0 H SER A 73 82.361 -0.928 0.136 1.00 0.00 H new ATOM 0 HA SER A 73 83.874 -2.777 1.717 1.00 0.00 H new ATOM 0 HB2 SER A 73 80.913 -2.353 1.151 1.00 0.00 H new ATOM 0 HB3 SER A 73 81.488 -3.631 2.204 1.00 0.00 H new ATOM 0 HG SER A 73 81.579 -0.824 2.567 1.00 0.00 H new ATOM 1135 N GLU A 74 82.573 -3.782 -1.102 1.00 0.00 N ATOM 1136 CA GLU A 74 82.525 -4.886 -2.052 1.00 0.00 C ATOM 1137 C GLU A 74 83.930 -5.300 -2.478 1.00 0.00 C ATOM 1138 O GLU A 74 84.286 -6.477 -2.418 1.00 0.00 O ATOM 1139 CB GLU A 74 81.701 -4.493 -3.281 1.00 0.00 C ATOM 1140 CG GLU A 74 80.241 -4.906 -3.191 1.00 0.00 C ATOM 1141 CD GLU A 74 79.337 -4.044 -4.051 1.00 0.00 C ATOM 1142 OE1 GLU A 74 79.850 -3.394 -4.985 1.00 0.00 O ATOM 1143 OE2 GLU A 74 78.116 -4.020 -3.789 1.00 0.00 O ATOM 0 H GLU A 74 82.219 -2.897 -1.466 1.00 0.00 H new ATOM 0 HA GLU A 74 82.050 -5.735 -1.560 1.00 0.00 H new ATOM 0 HB2 GLU A 74 81.757 -3.413 -3.415 1.00 0.00 H new ATOM 0 HB3 GLU A 74 82.145 -4.948 -4.167 1.00 0.00 H new ATOM 0 HG2 GLU A 74 80.142 -5.947 -3.497 1.00 0.00 H new ATOM 0 HG3 GLU A 74 79.914 -4.846 -2.153 1.00 0.00 H new ATOM 1150 N VAL A 75 84.724 -4.325 -2.909 1.00 0.00 N ATOM 1151 CA VAL A 75 86.091 -4.588 -3.345 1.00 0.00 C ATOM 1152 C VAL A 75 86.903 -5.256 -2.239 1.00 0.00 C ATOM 1153 O VAL A 75 87.584 -6.254 -2.473 1.00 0.00 O ATOM 1154 CB VAL A 75 86.800 -3.291 -3.782 1.00 0.00 C ATOM 1155 CG1 VAL A 75 88.181 -3.595 -4.343 1.00 0.00 C ATOM 1156 CG2 VAL A 75 85.956 -2.541 -4.803 1.00 0.00 C ATOM 0 H VAL A 75 84.444 -3.346 -2.966 1.00 0.00 H new ATOM 0 HA VAL A 75 86.028 -5.262 -4.199 1.00 0.00 H new ATOM 0 HB VAL A 75 86.924 -2.655 -2.906 1.00 0.00 H new ATOM 0 HG11 VAL A 75 88.664 -2.666 -4.645 1.00 0.00 H new ATOM 0 HG12 VAL A 75 88.784 -4.085 -3.579 1.00 0.00 H new ATOM 0 HG13 VAL A 75 88.086 -4.252 -5.207 1.00 0.00 H new ATOM 0 HG21 VAL A 75 86.471 -1.628 -5.101 1.00 0.00 H new ATOM 0 HG22 VAL A 75 85.799 -3.171 -5.679 1.00 0.00 H new ATOM 0 HG23 VAL A 75 84.992 -2.286 -4.362 1.00 0.00 H new ATOM 1166 N LEU A 76 86.826 -4.698 -1.035 1.00 0.00 N ATOM 1167 CA LEU A 76 87.554 -5.243 0.105 1.00 0.00 C ATOM 1168 C LEU A 76 87.129 -6.682 0.380 1.00 0.00 C ATOM 1169 O LEU A 76 87.940 -7.512 0.791 1.00 0.00 O ATOM 1170 CB LEU A 76 87.314 -4.384 1.349 1.00 0.00 C ATOM 1171 CG LEU A 76 88.270 -3.201 1.514 1.00 0.00 C ATOM 1172 CD1 LEU A 76 87.957 -2.437 2.791 1.00 0.00 C ATOM 1173 CD2 LEU A 76 89.714 -3.680 1.517 1.00 0.00 C ATOM 0 H LEU A 76 86.268 -3.871 -0.824 1.00 0.00 H new ATOM 0 HA LEU A 76 88.617 -5.233 -0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 76 86.293 -4.004 1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 76 87.391 -5.020 2.231 1.00 0.00 H new ATOM 0 HG LEU A 76 88.134 -2.526 0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 76 88.647 -1.599 2.892 1.00 0.00 H new ATOM 0 HD12 LEU A 76 86.934 -2.062 2.749 1.00 0.00 H new ATOM 0 HD13 LEU A 76 88.065 -3.101 3.648 1.00 0.00 H new ATOM 0 HD21 LEU A 76 90.380 -2.826 1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 76 89.865 -4.375 2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 76 89.932 -4.183 0.575 1.00 0.00 H new ATOM 1185 N ARG A 77 85.851 -6.969 0.151 1.00 0.00 N ATOM 1186 CA ARG A 77 85.316 -8.306 0.371 1.00 0.00 C ATOM 1187 C ARG A 77 85.707 -9.242 -0.767 1.00 0.00 C ATOM 1188 O ARG A 77 86.121 -10.378 -0.536 1.00 0.00 O ATOM 1189 CB ARG A 77 83.793 -8.254 0.501 1.00 0.00 C ATOM 1190 CG ARG A 77 83.200 -9.457 1.215 1.00 0.00 C ATOM 1191 CD ARG A 77 82.714 -10.508 0.230 1.00 0.00 C ATOM 1192 NE ARG A 77 81.280 -10.398 -0.027 1.00 0.00 N ATOM 1193 CZ ARG A 77 80.343 -10.538 0.909 1.00 0.00 C ATOM 1194 NH1 ARG A 77 80.682 -10.805 2.164 1.00 0.00 N ATOM 1195 NH2 ARG A 77 79.062 -10.415 0.588 1.00 0.00 N ATOM 0 H ARG A 77 85.167 -6.292 -0.187 1.00 0.00 H new ATOM 0 HA ARG A 77 85.741 -8.691 1.298 1.00 0.00 H new ATOM 0 HB2 ARG A 77 83.514 -7.349 1.040 1.00 0.00 H new ATOM 0 HB3 ARG A 77 83.354 -8.181 -0.494 1.00 0.00 H new ATOM 0 HG2 ARG A 77 83.949 -9.895 1.875 1.00 0.00 H new ATOM 0 HG3 ARG A 77 82.370 -9.135 1.844 1.00 0.00 H new ATOM 0 HD2 ARG A 77 83.259 -10.405 -0.708 1.00 0.00 H new ATOM 0 HD3 ARG A 77 82.937 -11.501 0.620 1.00 0.00 H new ATOM 0 HE ARG A 77 80.978 -10.202 -0.981 1.00 0.00 H new ATOM 0 HH11 ARG A 77 81.665 -10.904 2.417 1.00 0.00 H new ATOM 0 HH12 ARG A 77 79.959 -10.911 2.876 1.00 0.00 H new ATOM 0 HH21 ARG A 77 78.795 -10.213 -0.375 1.00 0.00 H new ATOM 0 HH22 ARG A 77 78.344 -10.522 1.305 1.00 0.00 H new ATOM 1209 N ASP A 78 85.571 -8.758 -1.997 1.00 0.00 N ATOM 1210 CA ASP A 78 85.913 -9.551 -3.172 1.00 0.00 C ATOM 1211 C ASP A 78 87.390 -9.927 -3.158 1.00 0.00 C ATOM 1212 O ASP A 78 87.773 -11.002 -3.621 1.00 0.00 O ATOM 1213 CB ASP A 78 85.580 -8.779 -4.449 1.00 0.00 C ATOM 1214 CG ASP A 78 84.087 -8.614 -4.652 1.00 0.00 C ATOM 1215 OD1 ASP A 78 83.357 -8.530 -3.642 1.00 0.00 O ATOM 1216 OD2 ASP A 78 83.648 -8.569 -5.820 1.00 0.00 O ATOM 0 H ASP A 78 85.227 -7.821 -2.206 1.00 0.00 H new ATOM 0 HA ASP A 78 85.323 -10.467 -3.149 1.00 0.00 H new ATOM 0 HB2 ASP A 78 86.049 -7.796 -4.409 1.00 0.00 H new ATOM 0 HB3 ASP A 78 86.005 -9.300 -5.307 1.00 0.00 H new ATOM 1221 N GLY A 79 88.216 -9.034 -2.623 1.00 0.00 N ATOM 1222 CA GLY A 79 89.642 -9.289 -2.554 1.00 0.00 C ATOM 1223 C GLY A 79 90.354 -8.974 -3.856 1.00 0.00 C ATOM 1224 O GLY A 79 91.068 -9.817 -4.400 1.00 0.00 O ATOM 0 H GLY A 79 87.922 -8.137 -2.236 1.00 0.00 H new ATOM 0 HA2 GLY A 79 90.076 -8.691 -1.753 1.00 0.00 H new ATOM 0 HA3 GLY A 79 89.808 -10.335 -2.297 1.00 0.00 H new ATOM 1228 N THR A 80 90.163 -7.758 -4.355 1.00 0.00 N ATOM 1229 CA THR A 80 90.794 -7.333 -5.598 1.00 0.00 C ATOM 1230 C THR A 80 91.178 -5.855 -5.538 1.00 0.00 C ATOM 1231 O THR A 80 90.424 -5.034 -5.015 1.00 0.00 O ATOM 1232 CB THR A 80 89.868 -7.564 -6.808 1.00 0.00 C ATOM 1233 OG1 THR A 80 88.866 -8.535 -6.479 1.00 0.00 O ATOM 1234 CG2 THR A 80 90.662 -8.038 -8.015 1.00 0.00 C ATOM 0 H THR A 80 89.575 -7.049 -3.917 1.00 0.00 H new ATOM 0 HA THR A 80 91.693 -7.937 -5.721 1.00 0.00 H new ATOM 0 HB THR A 80 89.389 -6.617 -7.057 1.00 0.00 H new ATOM 0 HG1 THR A 80 88.280 -8.676 -7.252 1.00 0.00 H new ATOM 0 HG21 THR A 80 89.987 -8.194 -8.856 1.00 0.00 H new ATOM 0 HG22 THR A 80 91.404 -7.285 -8.280 1.00 0.00 H new ATOM 0 HG23 THR A 80 91.165 -8.975 -7.775 1.00 0.00 H new ATOM 1242 N PRO A 81 92.358 -5.494 -6.072 1.00 0.00 N ATOM 1243 CA PRO A 81 92.831 -4.106 -6.069 1.00 0.00 C ATOM 1244 C PRO A 81 92.073 -3.233 -7.064 1.00 0.00 C ATOM 1245 O PRO A 81 92.396 -3.205 -8.252 1.00 0.00 O ATOM 1246 CB PRO A 81 94.298 -4.234 -6.479 1.00 0.00 C ATOM 1247 CG PRO A 81 94.353 -5.475 -7.301 1.00 0.00 C ATOM 1248 CD PRO A 81 93.324 -6.405 -6.718 1.00 0.00 C ATOM 0 HA PRO A 81 92.684 -3.626 -5.102 1.00 0.00 H new ATOM 0 HB2 PRO A 81 94.627 -3.366 -7.050 1.00 0.00 H new ATOM 0 HB3 PRO A 81 94.948 -4.307 -5.607 1.00 0.00 H new ATOM 0 HG2 PRO A 81 94.136 -5.260 -8.347 1.00 0.00 H new ATOM 0 HG3 PRO A 81 95.347 -5.922 -7.267 1.00 0.00 H new ATOM 0 HD2 PRO A 81 92.849 -7.011 -7.489 1.00 0.00 H new ATOM 0 HD3 PRO A 81 93.768 -7.094 -5.999 1.00 0.00 H new ATOM 1256 N ARG A 82 91.062 -2.523 -6.573 1.00 0.00 N ATOM 1257 CA ARG A 82 90.258 -1.649 -7.419 1.00 0.00 C ATOM 1258 C ARG A 82 90.053 -0.291 -6.756 1.00 0.00 C ATOM 1259 O ARG A 82 89.764 -0.211 -5.562 1.00 0.00 O ATOM 1260 CB ARG A 82 88.901 -2.293 -7.714 1.00 0.00 C ATOM 1261 CG ARG A 82 88.993 -3.756 -8.117 1.00 0.00 C ATOM 1262 CD ARG A 82 87.747 -4.528 -7.710 1.00 0.00 C ATOM 1263 NE ARG A 82 87.194 -5.298 -8.821 1.00 0.00 N ATOM 1264 CZ ARG A 82 86.630 -4.750 -9.896 1.00 0.00 C ATOM 1265 NH1 ARG A 82 86.541 -3.431 -10.005 1.00 0.00 N ATOM 1266 NH2 ARG A 82 86.155 -5.524 -10.862 1.00 0.00 N ATOM 0 H ARG A 82 90.780 -2.536 -5.593 1.00 0.00 H new ATOM 0 HA ARG A 82 90.793 -1.501 -8.357 1.00 0.00 H new ATOM 0 HB2 ARG A 82 88.269 -2.208 -6.830 1.00 0.00 H new ATOM 0 HB3 ARG A 82 88.410 -1.736 -8.512 1.00 0.00 H new ATOM 0 HG2 ARG A 82 89.131 -3.829 -9.196 1.00 0.00 H new ATOM 0 HG3 ARG A 82 89.870 -4.208 -7.652 1.00 0.00 H new ATOM 0 HD2 ARG A 82 87.990 -5.201 -6.888 1.00 0.00 H new ATOM 0 HD3 ARG A 82 86.994 -3.832 -7.341 1.00 0.00 H new ATOM 0 HE ARG A 82 87.243 -6.316 -8.771 1.00 0.00 H new ATOM 0 HH11 ARG A 82 86.905 -2.832 -9.264 1.00 0.00 H new ATOM 0 HH12 ARG A 82 86.108 -3.015 -10.830 1.00 0.00 H new ATOM 0 HH21 ARG A 82 86.222 -6.539 -10.782 1.00 0.00 H new ATOM 0 HH22 ARG A 82 85.723 -5.105 -11.685 1.00 0.00 H new ATOM 1280 N ARG A 83 90.203 0.776 -7.536 1.00 0.00 N ATOM 1281 CA ARG A 83 90.030 2.128 -7.018 1.00 0.00 C ATOM 1282 C ARG A 83 88.943 2.873 -7.786 1.00 0.00 C ATOM 1283 O ARG A 83 89.181 3.392 -8.876 1.00 0.00 O ATOM 1284 CB ARG A 83 91.347 2.903 -7.096 1.00 0.00 C ATOM 1285 CG ARG A 83 92.138 2.640 -8.368 1.00 0.00 C ATOM 1286 CD ARG A 83 93.056 1.437 -8.218 1.00 0.00 C ATOM 1287 NE ARG A 83 94.466 1.813 -8.271 1.00 0.00 N ATOM 1288 CZ ARG A 83 95.453 1.065 -7.783 1.00 0.00 C ATOM 1289 NH1 ARG A 83 95.190 -0.102 -7.208 1.00 0.00 N ATOM 1290 NH2 ARG A 83 96.708 1.483 -7.873 1.00 0.00 N ATOM 0 H ARG A 83 90.443 0.730 -8.526 1.00 0.00 H new ATOM 0 HA ARG A 83 89.724 2.050 -5.975 1.00 0.00 H new ATOM 0 HB2 ARG A 83 91.135 3.970 -7.025 1.00 0.00 H new ATOM 0 HB3 ARG A 83 91.963 2.642 -6.235 1.00 0.00 H new ATOM 0 HG2 ARG A 83 91.450 2.472 -9.197 1.00 0.00 H new ATOM 0 HG3 ARG A 83 92.729 3.521 -8.618 1.00 0.00 H new ATOM 0 HD2 ARG A 83 92.849 0.939 -7.271 1.00 0.00 H new ATOM 0 HD3 ARG A 83 92.843 0.718 -9.009 1.00 0.00 H new ATOM 0 HE ARG A 83 94.709 2.702 -8.708 1.00 0.00 H new ATOM 0 HH11 ARG A 83 94.227 -0.431 -7.138 1.00 0.00 H new ATOM 0 HH12 ARG A 83 95.951 -0.670 -6.836 1.00 0.00 H new ATOM 0 HH21 ARG A 83 96.917 2.378 -8.316 1.00 0.00 H new ATOM 0 HH22 ARG A 83 97.464 0.910 -7.499 1.00 0.00 H new ATOM 1304 N ASP A 84 87.748 2.918 -7.206 1.00 0.00 N ATOM 1305 CA ASP A 84 86.618 3.602 -7.823 1.00 0.00 C ATOM 1306 C ASP A 84 85.671 4.130 -6.756 1.00 0.00 C ATOM 1307 O ASP A 84 84.849 3.385 -6.221 1.00 0.00 O ATOM 1308 CB ASP A 84 85.867 2.646 -8.742 1.00 0.00 C ATOM 1309 CG ASP A 84 86.342 2.726 -10.180 1.00 0.00 C ATOM 1310 OD1 ASP A 84 86.321 3.837 -10.750 1.00 0.00 O ATOM 1311 OD2 ASP A 84 86.736 1.679 -10.734 1.00 0.00 O ATOM 0 H ASP A 84 87.537 2.487 -6.306 1.00 0.00 H new ATOM 0 HA ASP A 84 86.999 4.440 -8.406 1.00 0.00 H new ATOM 0 HB2 ASP A 84 85.991 1.626 -8.379 1.00 0.00 H new ATOM 0 HB3 ASP A 84 84.801 2.871 -8.702 1.00 0.00 H new ATOM 1316 N GLU A 85 85.785 5.414 -6.446 1.00 0.00 N ATOM 1317 CA GLU A 85 84.939 6.020 -5.427 1.00 0.00 C ATOM 1318 C GLU A 85 84.716 7.500 -5.709 1.00 0.00 C ATOM 1319 O GLU A 85 85.571 8.163 -6.295 1.00 0.00 O ATOM 1320 CB GLU A 85 85.573 5.834 -4.045 1.00 0.00 C ATOM 1321 CG GLU A 85 86.428 4.577 -3.931 1.00 0.00 C ATOM 1322 CD GLU A 85 87.325 4.586 -2.709 1.00 0.00 C ATOM 1323 OE1 GLU A 85 87.487 5.665 -2.100 1.00 0.00 O ATOM 1324 OE2 GLU A 85 87.866 3.515 -2.362 1.00 0.00 O ATOM 0 H GLU A 85 86.450 6.053 -6.882 1.00 0.00 H new ATOM 0 HA GLU A 85 83.969 5.523 -5.447 1.00 0.00 H new ATOM 0 HB2 GLU A 85 86.188 6.704 -3.817 1.00 0.00 H new ATOM 0 HB3 GLU A 85 84.784 5.796 -3.294 1.00 0.00 H new ATOM 0 HG2 GLU A 85 85.778 3.703 -3.892 1.00 0.00 H new ATOM 0 HG3 GLU A 85 87.042 4.478 -4.826 1.00 0.00 H new ATOM 1331 N GLU A 86 83.565 8.016 -5.289 1.00 0.00 N ATOM 1332 CA GLU A 86 83.249 9.422 -5.501 1.00 0.00 C ATOM 1333 C GLU A 86 82.737 10.083 -4.246 1.00 0.00 C ATOM 1334 O GLU A 86 81.558 10.027 -3.896 1.00 0.00 O ATOM 1335 CB GLU A 86 82.222 9.572 -6.623 1.00 0.00 C ATOM 1336 CG GLU A 86 81.863 11.018 -6.927 1.00 0.00 C ATOM 1337 CD GLU A 86 81.883 11.325 -8.413 1.00 0.00 C ATOM 1338 OE1 GLU A 86 81.462 10.455 -9.204 1.00 0.00 O ATOM 1339 OE2 GLU A 86 82.320 12.435 -8.783 1.00 0.00 O ATOM 0 H GLU A 86 82.842 7.485 -4.804 1.00 0.00 H new ATOM 0 HA GLU A 86 84.175 9.922 -5.785 1.00 0.00 H new ATOM 0 HB2 GLU A 86 82.613 9.105 -7.527 1.00 0.00 H new ATOM 0 HB3 GLU A 86 81.316 9.031 -6.350 1.00 0.00 H new ATOM 0 HG2 GLU A 86 80.872 11.234 -6.529 1.00 0.00 H new ATOM 0 HG3 GLU A 86 82.563 11.678 -6.414 1.00 0.00 H new ATOM 1346 N ILE A 87 83.682 10.706 -3.598 1.00 0.00 N ATOM 1347 CA ILE A 87 83.461 11.544 -2.460 1.00 0.00 C ATOM 1348 C ILE A 87 84.193 12.774 -2.898 1.00 0.00 C ATOM 1349 O ILE A 87 85.403 12.880 -2.723 1.00 0.00 O ATOM 1350 CB ILE A 87 84.064 10.962 -1.156 1.00 0.00 C ATOM 1351 CG1 ILE A 87 83.124 9.911 -0.563 1.00 0.00 C ATOM 1352 CG2 ILE A 87 84.353 12.061 -0.133 1.00 0.00 C ATOM 1353 CD1 ILE A 87 83.824 8.630 -0.162 1.00 0.00 C ATOM 0 H ILE A 87 84.665 10.639 -3.862 1.00 0.00 H new ATOM 0 HA ILE A 87 82.410 11.686 -2.209 1.00 0.00 H new ATOM 0 HB ILE A 87 85.013 10.488 -1.407 1.00 0.00 H new ATOM 0 HG12 ILE A 87 82.626 10.332 0.311 1.00 0.00 H new ATOM 0 HG13 ILE A 87 82.347 9.678 -1.291 1.00 0.00 H new ATOM 0 HG21 ILE A 87 84.775 11.617 0.769 1.00 0.00 H new ATOM 0 HG22 ILE A 87 85.064 12.772 -0.554 1.00 0.00 H new ATOM 0 HG23 ILE A 87 83.427 12.578 0.117 1.00 0.00 H new ATOM 0 HD11 ILE A 87 83.096 7.931 0.250 1.00 0.00 H new ATOM 0 HD12 ILE A 87 84.299 8.186 -1.037 1.00 0.00 H new ATOM 0 HD13 ILE A 87 84.582 8.850 0.590 1.00 0.00 H new ATOM 1365 N THR A 88 83.468 13.695 -3.481 1.00 0.00 N ATOM 1366 CA THR A 88 84.107 14.847 -4.056 1.00 0.00 C ATOM 1367 C THR A 88 83.903 16.109 -3.225 1.00 0.00 C ATOM 1368 O THR A 88 82.774 16.477 -2.900 1.00 0.00 O ATOM 1369 CB THR A 88 83.639 15.070 -5.513 1.00 0.00 C ATOM 1370 OG1 THR A 88 83.464 16.465 -5.786 1.00 0.00 O ATOM 1371 CG2 THR A 88 82.349 14.322 -5.805 1.00 0.00 C ATOM 0 H THR A 88 82.452 13.670 -3.569 1.00 0.00 H new ATOM 0 HA THR A 88 85.177 14.640 -4.060 1.00 0.00 H new ATOM 0 HB THR A 88 84.419 14.676 -6.165 1.00 0.00 H new ATOM 0 HG1 THR A 88 82.763 16.581 -6.461 1.00 0.00 H new ATOM 0 HG21 THR A 88 82.050 14.502 -6.838 1.00 0.00 H new ATOM 0 HG22 THR A 88 82.505 13.254 -5.653 1.00 0.00 H new ATOM 0 HG23 THR A 88 81.565 14.673 -5.134 1.00 0.00 H new ATOM 1379 N ILE A 89 85.006 16.768 -2.883 1.00 0.00 N ATOM 1380 CA ILE A 89 84.952 17.991 -2.092 1.00 0.00 C ATOM 1381 C ILE A 89 84.787 19.215 -2.987 1.00 0.00 C ATOM 1382 O ILE A 89 84.126 20.185 -2.616 1.00 0.00 O ATOM 1383 CB ILE A 89 86.223 18.161 -1.234 1.00 0.00 C ATOM 1384 CG1 ILE A 89 87.460 18.279 -2.125 1.00 0.00 C ATOM 1385 CG2 ILE A 89 86.370 16.994 -0.268 1.00 0.00 C ATOM 1386 CD1 ILE A 89 88.744 18.496 -1.353 1.00 0.00 C ATOM 0 H ILE A 89 85.948 16.475 -3.142 1.00 0.00 H new ATOM 0 HA ILE A 89 84.088 17.907 -1.433 1.00 0.00 H new ATOM 0 HB ILE A 89 86.129 19.080 -0.655 1.00 0.00 H new ATOM 0 HG12 ILE A 89 87.554 17.373 -2.723 1.00 0.00 H new ATOM 0 HG13 ILE A 89 87.319 19.107 -2.820 1.00 0.00 H new ATOM 0 HG21 ILE A 89 87.271 17.128 0.330 1.00 0.00 H new ATOM 0 HG22 ILE A 89 85.501 16.954 0.389 1.00 0.00 H new ATOM 0 HG23 ILE A 89 86.443 16.063 -0.830 1.00 0.00 H new ATOM 0 HD11 ILE A 89 89.579 18.570 -2.049 1.00 0.00 H new ATOM 0 HD12 ILE A 89 88.670 19.417 -0.775 1.00 0.00 H new ATOM 0 HD13 ILE A 89 88.909 17.657 -0.677 1.00 0.00 H new ATOM 1398 N LYS A 90 85.392 19.162 -4.170 1.00 0.00 N ATOM 1399 CA LYS A 90 85.313 20.263 -5.122 1.00 0.00 C ATOM 1400 C LYS A 90 85.253 19.735 -6.554 1.00 0.00 C ATOM 1401 O LYS A 90 86.152 19.979 -7.360 1.00 0.00 O ATOM 1402 CB LYS A 90 86.514 21.201 -4.948 1.00 0.00 C ATOM 1403 CG LYS A 90 86.124 22.651 -4.718 1.00 0.00 C ATOM 1404 CD LYS A 90 85.274 23.188 -5.858 1.00 0.00 C ATOM 1405 CE LYS A 90 85.037 24.683 -5.719 1.00 0.00 C ATOM 1406 NZ LYS A 90 83.940 24.984 -4.757 1.00 0.00 N ATOM 0 H LYS A 90 85.943 18.366 -4.492 1.00 0.00 H new ATOM 0 HA LYS A 90 84.399 20.824 -4.926 1.00 0.00 H new ATOM 0 HB2 LYS A 90 87.114 20.857 -4.106 1.00 0.00 H new ATOM 0 HB3 LYS A 90 87.144 21.139 -5.835 1.00 0.00 H new ATOM 0 HG2 LYS A 90 85.573 22.736 -3.781 1.00 0.00 H new ATOM 0 HG3 LYS A 90 87.023 23.259 -4.616 1.00 0.00 H new ATOM 0 HD2 LYS A 90 85.767 22.983 -6.808 1.00 0.00 H new ATOM 0 HD3 LYS A 90 84.317 22.667 -5.877 1.00 0.00 H new ATOM 0 HE2 LYS A 90 85.955 25.167 -5.386 1.00 0.00 H new ATOM 0 HE3 LYS A 90 84.791 25.104 -6.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 83.809 26.014 -4.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 83.058 24.544 -5.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 84.186 24.605 -3.820 1.00 0.00 H new ATOM 1420 N ASP A 91 84.185 19.006 -6.862 1.00 0.00 N ATOM 1421 CA ASP A 91 84.005 18.437 -8.193 1.00 0.00 C ATOM 1422 C ASP A 91 85.140 17.474 -8.536 1.00 0.00 C ATOM 1423 O ASP A 91 85.377 17.169 -9.705 1.00 0.00 O ATOM 1424 CB ASP A 91 83.927 19.550 -9.241 1.00 0.00 C ATOM 1425 CG ASP A 91 82.776 19.354 -10.208 1.00 0.00 C ATOM 1426 OD1 ASP A 91 82.392 18.189 -10.445 1.00 0.00 O ATOM 1427 OD2 ASP A 91 82.260 20.365 -10.729 1.00 0.00 O ATOM 0 H ASP A 91 83.431 18.795 -6.208 1.00 0.00 H new ATOM 0 HA ASP A 91 83.069 17.878 -8.197 1.00 0.00 H new ATOM 0 HB2 ASP A 91 83.816 20.511 -8.739 1.00 0.00 H new ATOM 0 HB3 ASP A 91 84.863 19.587 -9.798 1.00 0.00 H new ATOM 1432 N ARG A 92 85.838 16.998 -7.510 1.00 0.00 N ATOM 1433 CA ARG A 92 86.942 16.065 -7.698 1.00 0.00 C ATOM 1434 C ARG A 92 86.765 14.851 -6.794 1.00 0.00 C ATOM 1435 O ARG A 92 87.272 14.819 -5.673 1.00 0.00 O ATOM 1436 CB ARG A 92 88.277 16.751 -7.406 1.00 0.00 C ATOM 1437 CG ARG A 92 88.969 17.287 -8.649 1.00 0.00 C ATOM 1438 CD ARG A 92 89.634 18.628 -8.384 1.00 0.00 C ATOM 1439 NE ARG A 92 90.982 18.473 -7.846 1.00 0.00 N ATOM 1440 CZ ARG A 92 92.037 18.122 -8.578 1.00 0.00 C ATOM 1441 NH1 ARG A 92 91.902 17.890 -9.878 1.00 0.00 N ATOM 1442 NH2 ARG A 92 93.228 18.002 -8.009 1.00 0.00 N ATOM 0 H ARG A 92 85.657 17.244 -6.537 1.00 0.00 H new ATOM 0 HA ARG A 92 86.943 15.733 -8.736 1.00 0.00 H new ATOM 0 HB2 ARG A 92 88.109 17.573 -6.710 1.00 0.00 H new ATOM 0 HB3 ARG A 92 88.939 16.042 -6.908 1.00 0.00 H new ATOM 0 HG2 ARG A 92 89.717 16.570 -8.988 1.00 0.00 H new ATOM 0 HG3 ARG A 92 88.242 17.393 -9.454 1.00 0.00 H new ATOM 0 HD2 ARG A 92 89.677 19.201 -9.310 1.00 0.00 H new ATOM 0 HD3 ARG A 92 89.027 19.201 -7.683 1.00 0.00 H new ATOM 0 HE ARG A 92 91.124 18.644 -6.850 1.00 0.00 H new ATOM 0 HH11 ARG A 92 90.987 17.980 -10.320 1.00 0.00 H new ATOM 0 HH12 ARG A 92 92.713 17.621 -10.435 1.00 0.00 H new ATOM 0 HH21 ARG A 92 93.336 18.179 -7.010 1.00 0.00 H new ATOM 0 HH22 ARG A 92 94.036 17.733 -8.570 1.00 0.00 H new ATOM 1456 N LEU A 93 86.035 13.857 -7.294 1.00 0.00 N ATOM 1457 CA LEU A 93 85.767 12.633 -6.539 1.00 0.00 C ATOM 1458 C LEU A 93 87.018 12.146 -5.799 1.00 0.00 C ATOM 1459 O LEU A 93 88.115 12.144 -6.357 1.00 0.00 O ATOM 1460 CB LEU A 93 85.265 11.530 -7.477 1.00 0.00 C ATOM 1461 CG LEU A 93 85.804 11.584 -8.911 1.00 0.00 C ATOM 1462 CD1 LEU A 93 87.319 11.705 -8.913 1.00 0.00 C ATOM 1463 CD2 LEU A 93 85.366 10.351 -9.687 1.00 0.00 C ATOM 0 H LEU A 93 85.616 13.875 -8.224 1.00 0.00 H new ATOM 0 HA LEU A 93 84.999 12.863 -5.801 1.00 0.00 H new ATOM 0 HB2 LEU A 93 85.527 10.564 -7.046 1.00 0.00 H new ATOM 0 HB3 LEU A 93 84.177 11.578 -7.515 1.00 0.00 H new ATOM 0 HG LEU A 93 85.392 12.467 -9.400 1.00 0.00 H new ATOM 0 HD11 LEU A 93 87.680 11.742 -9.941 1.00 0.00 H new ATOM 0 HD12 LEU A 93 87.612 12.617 -8.393 1.00 0.00 H new ATOM 0 HD13 LEU A 93 87.754 10.843 -8.407 1.00 0.00 H new ATOM 0 HD21 LEU A 93 85.756 10.403 -10.703 1.00 0.00 H new ATOM 0 HD22 LEU A 93 85.750 9.457 -9.196 1.00 0.00 H new ATOM 0 HD23 LEU A 93 84.277 10.308 -9.718 1.00 0.00 H new ATOM 1475 N LEU A 94 86.849 11.739 -4.543 1.00 0.00 N ATOM 1476 CA LEU A 94 87.967 11.245 -3.743 1.00 0.00 C ATOM 1477 C LEU A 94 87.984 9.723 -3.716 1.00 0.00 C ATOM 1478 O LEU A 94 87.244 9.101 -2.955 1.00 0.00 O ATOM 1479 CB LEU A 94 87.889 11.759 -2.302 1.00 0.00 C ATOM 1480 CG LEU A 94 87.970 13.278 -2.133 1.00 0.00 C ATOM 1481 CD1 LEU A 94 87.201 13.718 -0.891 1.00 0.00 C ATOM 1482 CD2 LEU A 94 89.422 13.727 -2.051 1.00 0.00 C ATOM 0 H LEU A 94 85.951 11.741 -4.058 1.00 0.00 H new ATOM 0 HA LEU A 94 88.880 11.615 -4.209 1.00 0.00 H new ATOM 0 HB2 LEU A 94 86.954 11.413 -1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 94 88.698 11.305 -1.730 1.00 0.00 H new ATOM 0 HG LEU A 94 87.514 13.748 -3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 94 87.269 14.801 -0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 94 86.155 13.428 -0.989 1.00 0.00 H new ATOM 0 HD13 LEU A 94 87.629 13.240 -0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 94 89.462 14.810 -1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 94 89.903 13.249 -1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 94 89.943 13.444 -2.966 1.00 0.00 H new ATOM 1494 N LEU A 95 88.829 9.124 -4.543 1.00 0.00 N ATOM 1495 CA LEU A 95 88.944 7.674 -4.580 1.00 0.00 C ATOM 1496 C LEU A 95 90.164 7.234 -3.788 1.00 0.00 C ATOM 1497 O LEU A 95 91.302 7.491 -4.181 1.00 0.00 O ATOM 1498 CB LEU A 95 89.031 7.163 -6.018 1.00 0.00 C ATOM 1499 CG LEU A 95 90.088 7.849 -6.891 1.00 0.00 C ATOM 1500 CD1 LEU A 95 91.130 6.845 -7.361 1.00 0.00 C ATOM 1501 CD2 LEU A 95 89.435 8.537 -8.081 1.00 0.00 C ATOM 0 H LEU A 95 89.441 9.616 -5.193 1.00 0.00 H new ATOM 0 HA LEU A 95 88.049 7.247 -4.128 1.00 0.00 H new ATOM 0 HB2 LEU A 95 89.240 6.094 -5.995 1.00 0.00 H new ATOM 0 HB3 LEU A 95 88.057 7.287 -6.490 1.00 0.00 H new ATOM 0 HG LEU A 95 90.589 8.606 -6.288 1.00 0.00 H new ATOM 0 HD11 LEU A 95 91.871 7.352 -7.979 1.00 0.00 H new ATOM 0 HD12 LEU A 95 91.622 6.400 -6.496 1.00 0.00 H new ATOM 0 HD13 LEU A 95 90.644 6.063 -7.945 1.00 0.00 H new ATOM 0 HD21 LEU A 95 90.201 9.018 -8.689 1.00 0.00 H new ATOM 0 HD22 LEU A 95 88.905 7.798 -8.683 1.00 0.00 H new ATOM 0 HD23 LEU A 95 88.730 9.288 -7.725 1.00 0.00 H new ATOM 1513 N ILE A 96 89.918 6.569 -2.669 1.00 0.00 N ATOM 1514 CA ILE A 96 90.992 6.102 -1.808 1.00 0.00 C ATOM 1515 C ILE A 96 91.282 4.627 -2.069 1.00 0.00 C ATOM 1516 O ILE A 96 90.391 3.867 -2.447 1.00 0.00 O ATOM 1517 CB ILE A 96 90.641 6.321 -0.320 1.00 0.00 C ATOM 1518 CG1 ILE A 96 90.540 7.820 -0.009 1.00 0.00 C ATOM 1519 CG2 ILE A 96 91.677 5.663 0.583 1.00 0.00 C ATOM 1520 CD1 ILE A 96 89.415 8.531 -0.738 1.00 0.00 C ATOM 0 H ILE A 96 88.981 6.341 -2.336 1.00 0.00 H new ATOM 0 HA ILE A 96 91.886 6.682 -2.038 1.00 0.00 H new ATOM 0 HB ILE A 96 89.674 5.857 -0.127 1.00 0.00 H new ATOM 0 HG12 ILE A 96 90.401 7.949 1.064 1.00 0.00 H new ATOM 0 HG13 ILE A 96 91.485 8.298 -0.268 1.00 0.00 H new ATOM 0 HG21 ILE A 96 91.409 5.830 1.626 1.00 0.00 H new ATOM 0 HG22 ILE A 96 91.706 4.592 0.383 1.00 0.00 H new ATOM 0 HG23 ILE A 96 92.658 6.095 0.386 1.00 0.00 H new ATOM 0 HD11 ILE A 96 89.413 9.586 -0.463 1.00 0.00 H new ATOM 0 HD12 ILE A 96 89.562 8.437 -1.814 1.00 0.00 H new ATOM 0 HD13 ILE A 96 88.461 8.082 -0.461 1.00 0.00 H new ATOM 1532 N ASN A 97 92.532 4.229 -1.862 1.00 0.00 N ATOM 1533 CA ASN A 97 92.940 2.850 -2.102 1.00 0.00 C ATOM 1534 C ASN A 97 92.988 2.043 -0.810 1.00 0.00 C ATOM 1535 O ASN A 97 93.604 2.453 0.175 1.00 0.00 O ATOM 1536 CB ASN A 97 94.308 2.818 -2.786 1.00 0.00 C ATOM 1537 CG ASN A 97 94.388 3.769 -3.964 1.00 0.00 C ATOM 1538 OD1 ASN A 97 94.560 4.976 -3.793 1.00 0.00 O ATOM 1539 ND2 ASN A 97 94.263 3.229 -5.172 1.00 0.00 N ATOM 0 H ASN A 97 93.278 4.840 -1.530 1.00 0.00 H new ATOM 0 HA ASN A 97 92.195 2.394 -2.754 1.00 0.00 H new ATOM 0 HB2 ASN A 97 95.080 3.076 -2.061 1.00 0.00 H new ATOM 0 HB3 ASN A 97 94.517 1.804 -3.126 1.00 0.00 H new ATOM 0 HD21 ASN A 97 94.308 3.820 -6.002 1.00 0.00 H new ATOM 0 HD22 ASN A 97 94.122 2.224 -5.269 1.00 0.00 H new ATOM 1546 N THR A 98 92.330 0.889 -0.832 1.00 0.00 N ATOM 1547 CA THR A 98 92.291 -0.002 0.320 1.00 0.00 C ATOM 1548 C THR A 98 92.232 -1.454 -0.137 1.00 0.00 C ATOM 1549 O THR A 98 91.169 -1.959 -0.499 1.00 0.00 O ATOM 1550 CB THR A 98 91.079 0.295 1.222 1.00 0.00 C ATOM 1551 OG1 THR A 98 89.883 0.347 0.436 1.00 0.00 O ATOM 1552 CG2 THR A 98 91.265 1.611 1.961 1.00 0.00 C ATOM 0 H THR A 98 91.813 0.548 -1.642 1.00 0.00 H new ATOM 0 HA THR A 98 93.201 0.167 0.895 1.00 0.00 H new ATOM 0 HB THR A 98 90.995 -0.507 1.956 1.00 0.00 H new ATOM 0 HG1 THR A 98 89.872 -0.405 -0.193 1.00 0.00 H new ATOM 0 HG21 THR A 98 90.396 1.800 2.592 1.00 0.00 H new ATOM 0 HG22 THR A 98 92.159 1.557 2.582 1.00 0.00 H new ATOM 0 HG23 THR A 98 91.373 2.421 1.240 1.00 0.00 H new ATOM 1560 N VAL A 99 93.379 -2.122 -0.115 1.00 0.00 N ATOM 1561 CA VAL A 99 93.462 -3.514 -0.540 1.00 0.00 C ATOM 1562 C VAL A 99 93.465 -4.459 0.659 1.00 0.00 C ATOM 1563 O VAL A 99 94.024 -4.138 1.708 1.00 0.00 O ATOM 1564 CB VAL A 99 94.731 -3.767 -1.381 1.00 0.00 C ATOM 1565 CG1 VAL A 99 94.592 -5.045 -2.193 1.00 0.00 C ATOM 1566 CG2 VAL A 99 95.022 -2.580 -2.290 1.00 0.00 C ATOM 0 H VAL A 99 94.265 -1.722 0.193 1.00 0.00 H new ATOM 0 HA VAL A 99 92.581 -3.711 -1.151 1.00 0.00 H new ATOM 0 HB VAL A 99 95.573 -3.887 -0.699 1.00 0.00 H new ATOM 0 HG11 VAL A 99 95.497 -5.204 -2.778 1.00 0.00 H new ATOM 0 HG12 VAL A 99 94.442 -5.889 -1.520 1.00 0.00 H new ATOM 0 HG13 VAL A 99 93.737 -4.959 -2.863 1.00 0.00 H new ATOM 0 HG21 VAL A 99 95.921 -2.780 -2.873 1.00 0.00 H new ATOM 0 HG22 VAL A 99 94.180 -2.422 -2.964 1.00 0.00 H new ATOM 0 HG23 VAL A 99 95.174 -1.687 -1.684 1.00 0.00 H new ATOM 1576 N PRO A 100 92.839 -5.643 0.520 1.00 0.00 N ATOM 1577 CA PRO A 100 92.775 -6.636 1.583 1.00 0.00 C ATOM 1578 C PRO A 100 93.832 -7.724 1.422 1.00 0.00 C ATOM 1579 O PRO A 100 94.226 -8.061 0.306 1.00 0.00 O ATOM 1580 CB PRO A 100 91.384 -7.219 1.366 1.00 0.00 C ATOM 1581 CG PRO A 100 91.201 -7.199 -0.120 1.00 0.00 C ATOM 1582 CD PRO A 100 92.088 -6.096 -0.663 1.00 0.00 C ATOM 0 HA PRO A 100 92.953 -6.217 2.573 1.00 0.00 H new ATOM 0 HB2 PRO A 100 91.311 -8.232 1.762 1.00 0.00 H new ATOM 0 HB3 PRO A 100 90.621 -6.625 1.869 1.00 0.00 H new ATOM 0 HG2 PRO A 100 91.473 -8.161 -0.555 1.00 0.00 H new ATOM 0 HG3 PRO A 100 90.158 -7.016 -0.377 1.00 0.00 H new ATOM 0 HD2 PRO A 100 92.754 -6.464 -1.444 1.00 0.00 H new ATOM 0 HD3 PRO A 100 91.501 -5.288 -1.099 1.00 0.00 H new ATOM 1590 N VAL A 101 94.287 -8.271 2.545 1.00 0.00 N ATOM 1591 CA VAL A 101 95.302 -9.320 2.531 1.00 0.00 C ATOM 1592 C VAL A 101 94.894 -10.470 1.615 1.00 0.00 C ATOM 1593 O VAL A 101 93.715 -10.806 1.511 1.00 0.00 O ATOM 1594 CB VAL A 101 95.561 -9.871 3.945 1.00 0.00 C ATOM 1595 CG1 VAL A 101 96.758 -10.809 3.942 1.00 0.00 C ATOM 1596 CG2 VAL A 101 95.768 -8.730 4.934 1.00 0.00 C ATOM 0 H VAL A 101 93.969 -8.005 3.477 1.00 0.00 H new ATOM 0 HA VAL A 101 96.218 -8.867 2.153 1.00 0.00 H new ATOM 0 HB VAL A 101 94.686 -10.439 4.260 1.00 0.00 H new ATOM 0 HG11 VAL A 101 96.926 -11.188 4.950 1.00 0.00 H new ATOM 0 HG12 VAL A 101 96.565 -11.643 3.268 1.00 0.00 H new ATOM 0 HG13 VAL A 101 97.643 -10.269 3.606 1.00 0.00 H new ATOM 0 HG21 VAL A 101 95.950 -9.139 5.928 1.00 0.00 H new ATOM 0 HG22 VAL A 101 96.625 -8.132 4.625 1.00 0.00 H new ATOM 0 HG23 VAL A 101 94.877 -8.102 4.957 1.00 0.00 H new ATOM 1606 N ARG A 102 95.879 -11.069 0.953 1.00 0.00 N ATOM 1607 CA ARG A 102 95.625 -12.181 0.045 1.00 0.00 C ATOM 1608 C ARG A 102 94.907 -13.321 0.761 1.00 0.00 C ATOM 1609 O ARG A 102 93.692 -13.479 0.635 1.00 0.00 O ATOM 1610 CB ARG A 102 96.940 -12.682 -0.560 1.00 0.00 C ATOM 1611 CG ARG A 102 97.093 -12.353 -2.038 1.00 0.00 C ATOM 1612 CD ARG A 102 97.345 -13.602 -2.867 1.00 0.00 C ATOM 1613 NE ARG A 102 98.761 -13.770 -3.186 1.00 0.00 N ATOM 1614 CZ ARG A 102 99.428 -12.991 -4.034 1.00 0.00 C ATOM 1615 NH1 ARG A 102 98.813 -11.988 -4.648 1.00 0.00 N ATOM 1616 NH2 ARG A 102 100.713 -13.214 -4.269 1.00 0.00 N ATOM 0 H ARG A 102 96.861 -10.802 1.029 1.00 0.00 H new ATOM 0 HA ARG A 102 94.979 -11.823 -0.756 1.00 0.00 H new ATOM 0 HB2 ARG A 102 97.773 -12.244 -0.010 1.00 0.00 H new ATOM 0 HB3 ARG A 102 97.003 -13.762 -0.428 1.00 0.00 H new ATOM 0 HG2 ARG A 102 96.192 -11.854 -2.395 1.00 0.00 H new ATOM 0 HG3 ARG A 102 97.919 -11.654 -2.172 1.00 0.00 H new ATOM 0 HD2 ARG A 102 96.990 -14.477 -2.322 1.00 0.00 H new ATOM 0 HD3 ARG A 102 96.769 -13.546 -3.791 1.00 0.00 H new ATOM 0 HE ARG A 102 99.268 -14.529 -2.732 1.00 0.00 H new ATOM 0 HH11 ARG A 102 97.824 -11.811 -4.471 1.00 0.00 H new ATOM 0 HH12 ARG A 102 99.329 -11.394 -5.297 1.00 0.00 H new ATOM 0 HH21 ARG A 102 101.191 -13.983 -3.800 1.00 0.00 H new ATOM 0 HH22 ARG A 102 101.224 -12.617 -4.919 1.00 0.00 H new ATOM 1630 N SER A 103 95.664 -14.113 1.514 1.00 0.00 N ATOM 1631 CA SER A 103 95.098 -15.240 2.248 1.00 0.00 C ATOM 1632 C SER A 103 94.371 -16.193 1.304 1.00 0.00 C ATOM 1633 O SER A 103 94.254 -15.928 0.108 1.00 0.00 O ATOM 1634 CB SER A 103 94.134 -14.741 3.327 1.00 0.00 C ATOM 1635 OG SER A 103 93.579 -15.823 4.055 1.00 0.00 O ATOM 0 H SER A 103 96.670 -13.995 1.632 1.00 0.00 H new ATOM 0 HA SER A 103 95.917 -15.780 2.723 1.00 0.00 H new ATOM 0 HB2 SER A 103 94.660 -14.072 4.008 1.00 0.00 H new ATOM 0 HB3 SER A 103 93.335 -14.161 2.865 1.00 0.00 H new ATOM 0 HG SER A 103 92.637 -15.636 4.251 1.00 0.00 H new ATOM 1641 N ASN A 104 93.885 -17.303 1.848 1.00 0.00 N ATOM 1642 CA ASN A 104 93.171 -18.294 1.051 1.00 0.00 C ATOM 1643 C ASN A 104 91.664 -18.180 1.265 1.00 0.00 C ATOM 1644 O ASN A 104 91.083 -18.912 2.066 1.00 0.00 O ATOM 1645 CB ASN A 104 93.643 -19.705 1.408 1.00 0.00 C ATOM 1646 CG ASN A 104 93.595 -20.648 0.221 1.00 0.00 C ATOM 1647 OD1 ASN A 104 92.673 -21.452 0.091 1.00 0.00 O ATOM 1648 ND2 ASN A 104 94.591 -20.551 -0.651 1.00 0.00 N ATOM 0 H ASN A 104 93.972 -17.539 2.836 1.00 0.00 H new ATOM 0 HA ASN A 104 93.387 -18.102 0.000 1.00 0.00 H new ATOM 0 HB2 ASN A 104 94.663 -19.658 1.791 1.00 0.00 H new ATOM 0 HB3 ASN A 104 93.020 -20.102 2.209 1.00 0.00 H new ATOM 0 HD21 ASN A 104 94.613 -21.159 -1.470 1.00 0.00 H new ATOM 0 HD22 ASN A 104 95.335 -19.869 -0.502 1.00 0.00 H new ATOM 1655 N GLY A 105 91.038 -17.258 0.541 1.00 0.00 N ATOM 1656 CA GLY A 105 89.604 -17.066 0.665 1.00 0.00 C ATOM 1657 C GLY A 105 89.247 -15.988 1.669 1.00 0.00 C ATOM 1658 O GLY A 105 89.181 -14.807 1.325 1.00 0.00 O ATOM 0 H GLY A 105 91.497 -16.641 -0.129 1.00 0.00 H new ATOM 0 HA2 GLY A 105 89.191 -16.802 -0.309 1.00 0.00 H new ATOM 0 HA3 GLY A 105 89.140 -18.005 0.965 1.00 0.00 H new ATOM 1662 N VAL A 106 89.015 -16.393 2.913 1.00 0.00 N ATOM 1663 CA VAL A 106 88.661 -15.455 3.969 1.00 0.00 C ATOM 1664 C VAL A 106 89.795 -14.470 4.233 1.00 0.00 C ATOM 1665 O VAL A 106 90.953 -14.863 4.371 1.00 0.00 O ATOM 1666 CB VAL A 106 88.316 -16.186 5.281 1.00 0.00 C ATOM 1667 CG1 VAL A 106 87.075 -17.046 5.101 1.00 0.00 C ATOM 1668 CG2 VAL A 106 89.492 -17.027 5.752 1.00 0.00 C ATOM 0 H VAL A 106 89.066 -17.366 3.214 1.00 0.00 H new ATOM 0 HA VAL A 106 87.782 -14.910 3.624 1.00 0.00 H new ATOM 0 HB VAL A 106 88.106 -15.439 6.046 1.00 0.00 H new ATOM 0 HG11 VAL A 106 86.846 -17.555 6.037 1.00 0.00 H new ATOM 0 HG12 VAL A 106 86.233 -16.415 4.816 1.00 0.00 H new ATOM 0 HG13 VAL A 106 87.255 -17.786 4.321 1.00 0.00 H new ATOM 0 HG21 VAL A 106 89.228 -17.535 6.680 1.00 0.00 H new ATOM 0 HG22 VAL A 106 89.738 -17.767 4.991 1.00 0.00 H new ATOM 0 HG23 VAL A 106 90.354 -16.383 5.924 1.00 0.00 H new ATOM 1678 N ILE A 107 89.452 -13.187 4.302 1.00 0.00 N ATOM 1679 CA ILE A 107 90.441 -12.144 4.549 1.00 0.00 C ATOM 1680 C ILE A 107 90.361 -11.641 5.986 1.00 0.00 C ATOM 1681 O ILE A 107 89.284 -11.306 6.478 1.00 0.00 O ATOM 1682 CB ILE A 107 90.253 -10.954 3.586 1.00 0.00 C ATOM 1683 CG1 ILE A 107 90.163 -11.449 2.141 1.00 0.00 C ATOM 1684 CG2 ILE A 107 91.394 -9.960 3.742 1.00 0.00 C ATOM 1685 CD1 ILE A 107 89.997 -10.334 1.130 1.00 0.00 C ATOM 0 H ILE A 107 88.497 -12.845 4.190 1.00 0.00 H new ATOM 0 HA ILE A 107 91.422 -12.588 4.378 1.00 0.00 H new ATOM 0 HB ILE A 107 89.321 -10.448 3.835 1.00 0.00 H new ATOM 0 HG12 ILE A 107 91.064 -12.014 1.902 1.00 0.00 H new ATOM 0 HG13 ILE A 107 89.322 -12.137 2.053 1.00 0.00 H new ATOM 0 HG21 ILE A 107 91.247 -9.126 3.056 1.00 0.00 H new ATOM 0 HG22 ILE A 107 91.415 -9.588 4.766 1.00 0.00 H new ATOM 0 HG23 ILE A 107 92.340 -10.453 3.516 1.00 0.00 H new ATOM 0 HD11 ILE A 107 89.940 -10.758 0.127 1.00 0.00 H new ATOM 0 HD12 ILE A 107 89.081 -9.783 1.343 1.00 0.00 H new ATOM 0 HD13 ILE A 107 90.850 -9.658 1.191 1.00 0.00 H new ATOM 1697 N ILE A 108 91.509 -11.589 6.654 1.00 0.00 N ATOM 1698 CA ILE A 108 91.571 -11.126 8.035 1.00 0.00 C ATOM 1699 C ILE A 108 92.475 -9.905 8.163 1.00 0.00 C ATOM 1700 O ILE A 108 93.701 -10.022 8.150 1.00 0.00 O ATOM 1701 CB ILE A 108 92.084 -12.232 8.978 1.00 0.00 C ATOM 1702 CG1 ILE A 108 93.313 -12.919 8.377 1.00 0.00 C ATOM 1703 CG2 ILE A 108 90.984 -13.247 9.251 1.00 0.00 C ATOM 1704 CD1 ILE A 108 94.292 -13.422 9.414 1.00 0.00 C ATOM 0 H ILE A 108 92.410 -11.862 6.260 1.00 0.00 H new ATOM 0 HA ILE A 108 90.555 -10.857 8.324 1.00 0.00 H new ATOM 0 HB ILE A 108 92.374 -11.775 9.924 1.00 0.00 H new ATOM 0 HG12 ILE A 108 92.986 -13.757 7.761 1.00 0.00 H new ATOM 0 HG13 ILE A 108 93.824 -12.219 7.716 1.00 0.00 H new ATOM 0 HG21 ILE A 108 91.361 -14.022 9.918 1.00 0.00 H new ATOM 0 HG22 ILE A 108 90.136 -12.747 9.718 1.00 0.00 H new ATOM 0 HG23 ILE A 108 90.666 -13.700 8.312 1.00 0.00 H new ATOM 0 HD11 ILE A 108 95.137 -13.897 8.916 1.00 0.00 H new ATOM 0 HD12 ILE A 108 94.648 -12.585 10.014 1.00 0.00 H new ATOM 0 HD13 ILE A 108 93.797 -14.147 10.060 1.00 0.00 H new ATOM 1716 N GLY A 109 91.862 -8.732 8.288 1.00 0.00 N ATOM 1717 CA GLY A 109 92.626 -7.505 8.414 1.00 0.00 C ATOM 1718 C GLY A 109 92.731 -6.755 7.101 1.00 0.00 C ATOM 1719 O GLY A 109 93.221 -7.294 6.108 1.00 0.00 O ATOM 0 H GLY A 109 90.849 -8.610 8.304 1.00 0.00 H new ATOM 0 HA2 GLY A 109 92.158 -6.863 9.160 1.00 0.00 H new ATOM 0 HA3 GLY A 109 93.627 -7.738 8.777 1.00 0.00 H new ATOM 1723 N ALA A 110 92.272 -5.508 7.094 1.00 0.00 N ATOM 1724 CA ALA A 110 92.315 -4.684 5.893 1.00 0.00 C ATOM 1725 C ALA A 110 93.299 -3.530 6.050 1.00 0.00 C ATOM 1726 O ALA A 110 93.480 -3.001 7.146 1.00 0.00 O ATOM 1727 CB ALA A 110 90.925 -4.158 5.568 1.00 0.00 C ATOM 0 H ALA A 110 91.866 -5.046 7.908 1.00 0.00 H new ATOM 0 HA ALA A 110 92.660 -5.306 5.067 1.00 0.00 H new ATOM 0 HB1 ALA A 110 90.970 -3.544 4.669 1.00 0.00 H new ATOM 0 HB2 ALA A 110 90.248 -4.996 5.402 1.00 0.00 H new ATOM 0 HB3 ALA A 110 90.560 -3.557 6.400 1.00 0.00 H new ATOM 1733 N ILE A 111 93.932 -3.145 4.947 1.00 0.00 N ATOM 1734 CA ILE A 111 94.897 -2.053 4.960 1.00 0.00 C ATOM 1735 C ILE A 111 94.311 -0.794 4.329 1.00 0.00 C ATOM 1736 O ILE A 111 93.485 -0.870 3.420 1.00 0.00 O ATOM 1737 CB ILE A 111 96.189 -2.436 4.213 1.00 0.00 C ATOM 1738 CG1 ILE A 111 96.688 -3.807 4.678 1.00 0.00 C ATOM 1739 CG2 ILE A 111 97.258 -1.375 4.425 1.00 0.00 C ATOM 1740 CD1 ILE A 111 96.502 -4.899 3.647 1.00 0.00 C ATOM 0 H ILE A 111 93.794 -3.574 4.032 1.00 0.00 H new ATOM 0 HA ILE A 111 95.136 -1.854 6.005 1.00 0.00 H new ATOM 0 HB ILE A 111 95.970 -2.494 3.147 1.00 0.00 H new ATOM 0 HG12 ILE A 111 97.746 -3.733 4.931 1.00 0.00 H new ATOM 0 HG13 ILE A 111 96.161 -4.086 5.590 1.00 0.00 H new ATOM 0 HG21 ILE A 111 98.165 -1.660 3.891 1.00 0.00 H new ATOM 0 HG22 ILE A 111 96.900 -0.417 4.047 1.00 0.00 H new ATOM 0 HG23 ILE A 111 97.476 -1.286 5.489 1.00 0.00 H new ATOM 0 HD11 ILE A 111 96.877 -5.842 4.044 1.00 0.00 H new ATOM 0 HD12 ILE A 111 95.443 -5.000 3.412 1.00 0.00 H new ATOM 0 HD13 ILE A 111 97.052 -4.642 2.742 1.00 0.00 H new ATOM 1752 N SER A 112 94.747 0.364 4.815 1.00 0.00 N ATOM 1753 CA SER A 112 94.263 1.640 4.299 1.00 0.00 C ATOM 1754 C SER A 112 95.404 2.461 3.708 1.00 0.00 C ATOM 1755 O SER A 112 96.521 2.455 4.227 1.00 0.00 O ATOM 1756 CB SER A 112 93.573 2.434 5.410 1.00 0.00 C ATOM 1757 OG SER A 112 92.490 3.192 4.900 1.00 0.00 O ATOM 0 H SER A 112 95.434 0.445 5.565 1.00 0.00 H new ATOM 0 HA SER A 112 93.544 1.431 3.507 1.00 0.00 H new ATOM 0 HB2 SER A 112 93.212 1.751 6.179 1.00 0.00 H new ATOM 0 HB3 SER A 112 94.293 3.099 5.887 1.00 0.00 H new ATOM 0 HG SER A 112 92.724 4.144 4.909 1.00 0.00 H new ATOM 1763 N THR A 113 95.114 3.168 2.620 1.00 0.00 N ATOM 1764 CA THR A 113 96.114 3.998 1.958 1.00 0.00 C ATOM 1765 C THR A 113 95.592 5.415 1.748 1.00 0.00 C ATOM 1766 O THR A 113 94.824 5.673 0.821 1.00 0.00 O ATOM 1767 CB THR A 113 96.527 3.406 0.598 1.00 0.00 C ATOM 1768 OG1 THR A 113 96.839 2.015 0.744 1.00 0.00 O ATOM 1769 CG2 THR A 113 97.732 4.144 0.032 1.00 0.00 C ATOM 0 H THR A 113 94.195 3.183 2.178 1.00 0.00 H new ATOM 0 HA THR A 113 96.987 4.026 2.610 1.00 0.00 H new ATOM 0 HB THR A 113 95.692 3.520 -0.093 1.00 0.00 H new ATOM 0 HG1 THR A 113 97.099 1.645 -0.125 1.00 0.00 H new ATOM 0 HG21 THR A 113 98.007 3.709 -0.929 1.00 0.00 H new ATOM 0 HG22 THR A 113 97.483 5.197 -0.104 1.00 0.00 H new ATOM 0 HG23 THR A 113 98.570 4.056 0.723 1.00 0.00 H new ATOM 1777 N PHE A 114 96.014 6.330 2.614 1.00 0.00 N ATOM 1778 CA PHE A 114 95.587 7.721 2.524 1.00 0.00 C ATOM 1779 C PHE A 114 96.706 8.608 1.990 1.00 0.00 C ATOM 1780 O PHE A 114 97.844 8.536 2.453 1.00 0.00 O ATOM 1781 CB PHE A 114 95.133 8.225 3.895 1.00 0.00 C ATOM 1782 CG PHE A 114 93.663 8.040 4.146 1.00 0.00 C ATOM 1783 CD1 PHE A 114 93.136 6.775 4.348 1.00 0.00 C ATOM 1784 CD2 PHE A 114 92.809 9.131 4.178 1.00 0.00 C ATOM 1785 CE1 PHE A 114 91.785 6.601 4.578 1.00 0.00 C ATOM 1786 CE2 PHE A 114 91.457 8.963 4.407 1.00 0.00 C ATOM 1787 CZ PHE A 114 90.944 7.696 4.607 1.00 0.00 C ATOM 0 H PHE A 114 96.651 6.133 3.386 1.00 0.00 H new ATOM 0 HA PHE A 114 94.750 7.770 1.827 1.00 0.00 H new ATOM 0 HB2 PHE A 114 95.694 7.702 4.669 1.00 0.00 H new ATOM 0 HB3 PHE A 114 95.378 9.283 3.983 1.00 0.00 H new ATOM 0 HD1 PHE A 114 93.789 5.915 4.325 1.00 0.00 H new ATOM 0 HD2 PHE A 114 93.205 10.124 4.022 1.00 0.00 H new ATOM 0 HE1 PHE A 114 91.387 5.609 4.735 1.00 0.00 H new ATOM 0 HE2 PHE A 114 90.802 9.821 4.430 1.00 0.00 H new ATOM 0 HZ PHE A 114 89.887 7.562 4.786 1.00 0.00 H new ATOM 1797 N ARG A 115 96.373 9.445 1.012 1.00 0.00 N ATOM 1798 CA ARG A 115 97.346 10.350 0.415 1.00 0.00 C ATOM 1799 C ARG A 115 96.695 11.683 0.058 1.00 0.00 C ATOM 1800 O ARG A 115 96.030 11.804 -0.971 1.00 0.00 O ATOM 1801 CB ARG A 115 97.964 9.720 -0.835 1.00 0.00 C ATOM 1802 CG ARG A 115 98.561 8.345 -0.590 1.00 0.00 C ATOM 1803 CD ARG A 115 99.799 8.114 -1.441 1.00 0.00 C ATOM 1804 NE ARG A 115 99.467 7.917 -2.850 1.00 0.00 N ATOM 1805 CZ ARG A 115 100.357 7.576 -3.780 1.00 0.00 C ATOM 1806 NH1 ARG A 115 101.630 7.395 -3.455 1.00 0.00 N ATOM 1807 NH2 ARG A 115 99.971 7.415 -5.038 1.00 0.00 N ATOM 0 H ARG A 115 95.435 9.514 0.617 1.00 0.00 H new ATOM 0 HA ARG A 115 98.134 10.532 1.146 1.00 0.00 H new ATOM 0 HB2 ARG A 115 97.200 9.643 -1.609 1.00 0.00 H new ATOM 0 HB3 ARG A 115 98.741 10.381 -1.219 1.00 0.00 H new ATOM 0 HG2 ARG A 115 98.819 8.242 0.464 1.00 0.00 H new ATOM 0 HG3 ARG A 115 97.817 7.580 -0.813 1.00 0.00 H new ATOM 0 HD2 ARG A 115 100.470 8.967 -1.343 1.00 0.00 H new ATOM 0 HD3 ARG A 115 100.336 7.241 -1.070 1.00 0.00 H new ATOM 0 HE ARG A 115 98.497 8.048 -3.138 1.00 0.00 H new ATOM 0 HH11 ARG A 115 101.932 7.517 -2.488 1.00 0.00 H new ATOM 0 HH12 ARG A 115 102.307 7.134 -4.172 1.00 0.00 H new ATOM 0 HH21 ARG A 115 98.993 7.552 -5.293 1.00 0.00 H new ATOM 0 HH22 ARG A 115 100.652 7.154 -5.751 1.00 0.00 H new ATOM 1821 N ASP A 116 96.891 12.680 0.915 1.00 0.00 N ATOM 1822 CA ASP A 116 96.321 14.004 0.690 1.00 0.00 C ATOM 1823 C ASP A 116 97.379 14.970 0.172 1.00 0.00 C ATOM 1824 O ASP A 116 98.475 15.063 0.726 1.00 0.00 O ATOM 1825 CB ASP A 116 95.706 14.546 1.982 1.00 0.00 C ATOM 1826 CG ASP A 116 96.625 14.380 3.176 1.00 0.00 C ATOM 1827 OD1 ASP A 116 97.842 14.193 2.968 1.00 0.00 O ATOM 1828 OD2 ASP A 116 96.126 14.436 4.320 1.00 0.00 O ATOM 0 H ASP A 116 97.440 12.597 1.771 1.00 0.00 H new ATOM 0 HA ASP A 116 95.539 13.912 -0.064 1.00 0.00 H new ATOM 0 HB2 ASP A 116 95.470 15.602 1.853 1.00 0.00 H new ATOM 0 HB3 ASP A 116 94.765 14.031 2.177 1.00 0.00 H new